2,4-Dichloro-3-cyano-5-fluorobenzoic acid

Name: 2,4-Dichloro-3-cyano-5-fluorobenzoic acid
SKU: PI117528582
Rating: 5 (1 reviews)

Cat. No.: PI117528582

Product Details Other Identifiers Computed Properties

CAS	117528-58-2
Purity	98%
Molecular Formula	C8H2Cl2FNO2
Molecular Weight	234.01
Molar Refractivity	48.09

Pubchem ID	10900541
InChI Key	PAJAHSZQWFSIFX-UHFFFAOYSA-N
MDL Number	MFCD18801150

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.56
Brenk	1.0 alert
Consensus Log Po/w	2.44
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	14
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.94 cm/s
Log Po/w (iLOGP)	1.07
Log Po/w (MLOGP)	2.54
Log Po/w (SILICOS-IT)	2.94
Log Po/w (WLOGP)	3.12
Log Po/w (XLOGP3)	2.52
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	2.01
Topological Polar Surface Area	61.09 Å²
Veber	0.0

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