2,4-Dichloro-5-fluoro-3-nitrobenzoic acid

Name: 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid
SKU: PI106809147
Rating: 5 (1 reviews)

Cat. No.: PI106809147

Product Details Other Identifiers Computed Properties

CAS	106809-14-7
Purity	97%
Molecular Formula	C7H2Cl2FNO4
Molecular Weight	254.00
Molar Refractivity	52.2

Pubchem ID	2734259
InChI Key	PCSAPCNEJUEIGU-UHFFFAOYSA-N
MDL Number	MFCD03427137

Aromatic Heavy Atoms Number	6
BBB Permeant	No
Bioavailability Score	0.56
Brenk	3.0 alert
Consensus Log Po/w	1.88
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	15
Hydrogen Bond Acceptor Count	5.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.98 cm/s
Log Po/w (iLOGP)	0.63
Log Po/w (MLOGP)	2.11
Log Po/w (SILICOS-IT)	0.89
Log Po/w (WLOGP)	3.16
Log Po/w (XLOGP3)	2.63
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	2.03
Topological Polar Surface Area	83.12 Å²
Veber	0.0

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