3,5-Dichlorobenzaldehyde

Cat. No.: PI10203084

Product Details Other Identifiers Computed Properties

CAS	10203-08-4
Purity	98%
Molecular Formula	C7H4Cl2O
Molecular Weight	175.01
Molar Refractivity	41.85

Pubchem ID	35746
InChI Key	CASRSOJWLARCRX-UHFFFAOYSA-N
MDL Number	MFCD00003352

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	1
Topological Polar Surface Area	17.07 Å²
Heavy Atom Count	10
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.0
Log Po/w (iLOGP)	1.77
Log Po/w (XLOGP3)	2.64
Log Po/w (WLOGP)	2.81
Log Po/w (MLOGP)	2.63
Log Po/w (SILICOS-IT)	3.26
Consensus Log Po/w	2.62
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.49 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	1.1

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