4-(5-Bromo-2-chlorobenzyl)phenol

Name: 4-(5-Bromo-2-chlorobenzyl)phenol
SKU: PI864070188
Rating: 5 (1 reviews)

Cat. No.: PI864070188

Product Details Other Identifiers Computed Properties

CAS	864070-18-8
Purity	97%
Molecular Formula	C13H10BrClO
Molecular Weight	297.58
Molar Refractivity	70.63

Pubchem ID	57423751
InChI Key	CSQCYSDEAYXXTN-UHFFFAOYSA-N
MDL Number	MFCD19441145

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	2
Topological Polar Surface Area	20.23 Å²
Heavy Atom Count	16
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.08
Log Po/w (iLOGP)	2.63
Log Po/w (XLOGP3)	4.81
Log Po/w (WLOGP)	4.4
Log Po/w (MLOGP)	4.53
Log Po/w (SILICOS-IT)	4.67
Consensus Log Po/w	4.21
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-4.7 cm/s
Lipinski	1.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.94

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