3-Fluorobenzyl alcohol

3-Fluorobenzyl alcohol

Cat. No.: PI456473

Product Details Other Identifiers Computed Properties
CAS 456-47-3
Purity 96%
Molecular Formula C7H7FO
Molecular Weight 126.13
Molar Refractivity 32.53
Pubchem ID 68008
InChI Key QDHRSLFSDGCJFX-UHFFFAOYSA-N
MDL Number MFCD00004631
Hydrogen Bond Donor Count 1.0
Hydrogen Bond Acceptor Count 2.0
Rotatable Bond Count 1
Topological Polar Surface Area 20.23 Ų
Heavy Atom Count 9
Aromatic Heavy Atoms Number 6
Fraction Csp3 0.14
Log Po/w (iLOGP) 1.77
Log Po/w (XLOGP3) 1.5
Log Po/w (WLOGP) 1.59
Log Po/w (MLOGP) 1.97
Log Po/w (SILICOS-IT) 2.12
Consensus Log Po/w 1.79
GI Absorption High
BBB Permeant Yes
P-gp Substrate No
CYP1A2Inhibitor Yes
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor No
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -6.0 cm/s
Lipinski 0.0
Ghose None
Veber 0.0
Egan 0.0
Muegge 2.0
Bioavailability Score 0.55
PAINS 0.0 alert
Brenk 0.0 alert
Leadlikeness 1.0
Synthetic Accessibility 1.0

* Our products are for research use only.

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