4-Amino-3-chlorophenol hydrochloride

Name: 4-Amino-3-chlorophenol hydrochloride
SKU: PI52671644
Rating: 5 (1 reviews)

Catalog NumberPI52671644

CAS Number52671-64-4

CategoryAntineoplastics Intermediates

Product Details

Purity	98%
Molecular Formula	C6H7Cl2NO
Molecular Weight	180.03
Molar Refractivity	44.84

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Other Identifiers

Pubchem ID	12598190
InChI Key	RFJVQGMBFQGZPV-UHFFFAOYSA-N
MDL Number	MFCD00143110

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	1.64
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.0
Ghose	None
GI Absorption	High
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.46 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	1.75
Log Po/w (SILICOS-IT)	1.31
Log Po/w (WLOGP)	2.44
Log Po/w (XLOGP3)	2.73
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	0
Synthetic Accessibility	1.16
Topological Polar Surface Area	46.25 Å²
Veber	0.0

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