Glutaric acid

Cat. No.: PI110941

Product Details Other Identifiers Computed Properties

CAS	110-94-1
Purity	95%
Molecular Formula	C5H8O4
Linear Formula	CO2H(CH2)3CO2H
Molecular Weight	132.11
Molar Refractivity	29.69

Pubchem ID	743
InChI Key	JFCQEDHGNNZCLN-UHFFFAOYSA-N
MDL Number	MFCD00004410

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	4
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	9
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.6
Log Po/w (iLOGP)	0.45
Log Po/w (XLOGP3)	-0.29
Log Po/w (WLOGP)	0.33
Log Po/w (MLOGP)	-0.13
Log Po/w (SILICOS-IT)	-0.29
Consensus Log Po/w	0.01
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.31 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.29

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