Diphenylmethanimine

Cat. No.: PI1013883

Product Details Other Identifiers Computed Properties

CAS	1013-88-3
Synonyms	Benzophenoneimine
Purity	97%
Molecular Formula	C13H11N
Linear Formula	C6H5C(NH)C6H5
Molecular Weight	181.23
Molar Refractivity	59.49

Pubchem ID	136809
InChI Key	SXZIXHOMFPUIRK-UHFFFAOYSA-N
MDL Number	MFCD00001760

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	2
Topological Polar Surface Area	23.85 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.0
Log Po/w (iLOGP)	2.11
Log Po/w (XLOGP3)	3.27
Log Po/w (WLOGP)	3.1
Log Po/w (MLOGP)	3.0
Log Po/w (SILICOS-IT)	3.57
Consensus Log Po/w	3.01
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.08 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	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.34

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