1-Benzhydrylazetidin-3-ol

1-Benzhydrylazetidin-3-ol

Cat. No.: PI18621175

Product Details Other Identifiers Computed Properties
CAS 18621-17-5
Purity 98%
Molecular Formula C16H17NO
Molecular Weight 239.31
Molar Refractivity 76.17
Pubchem ID 330448
InChI Key MMAJXKGUZYDTHV-UHFFFAOYSA-N
MDL Number MFCD00205109
Hydrogen Bond Donor Count 1.0
Hydrogen Bond Acceptor Count 2.0
Rotatable Bond Count 3
Topological Polar Surface Area 23.47 Ų
Heavy Atom Count 18
Aromatic Heavy Atoms Number 12
Fraction Csp3 0.25
Log Po/w (iLOGP) 2.55
Log Po/w (XLOGP3) 2.61
Log Po/w (WLOGP) 1.75
Log Po/w (MLOGP) 2.53
Log Po/w (SILICOS-IT) 2.8
Consensus Log Po/w 2.44
GI Absorption High
BBB Permeant Yes
P-gp Substrate No
CYP1A2Inhibitor No
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor Yes
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -5.91 cm/s
Lipinski 0.0
Ghose None
Veber 0.0
Egan 0.0
Muegge 0.0
Bioavailability Score 0.55
PAINS 0.0 alert
Brenk 0.0 alert
Leadlikeness 1.0
Synthetic Accessibility 2.18

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