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[ CAS No. 6264-67-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6264-67-1
Chemical Structure| 6264-67-1
Structure of 6264-67-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 6264-67-1 ]

CAS No. :6264-67-1 MDL No. :MFCD00077494
Formula : C6H7FN2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :QNDFYLBDUWCFJO-UHFFFAOYSA-N
M.W : 126.13 Pubchem ID :80435
Synonyms :

Calculated chemistry of [ 6264-67-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 2.0
Molar Refractivity : 35.21
TPSA : 52.04 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.53 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.9
Log Po/w (XLOGP3) : 0.76
Log Po/w (WLOGP) : 1.43
Log Po/w (MLOGP) : 1.24
Log Po/w (SILICOS-IT) : 0.85
Consensus Log Po/w : 1.04

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.59
Solubility : 3.21 mg/ml ; 0.0255 mol/l
Class : Very soluble
Log S (Ali) : -1.43
Solubility : 4.66 mg/ml ; 0.0369 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.92
Solubility : 1.53 mg/ml ; 0.0121 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.23

Safety of [ 6264-67-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:
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