Pyrrolidine-2,5-dione

Cat. No.: PI123568

Product Details Other Identifiers Computed Properties

CAS	123-56-8
Purity	97%
Molecular Formula	C4H5NO2
Molecular Weight	99.09
Molar Refractivity	26.34

Pubchem ID	11439
InChI Key	KZNICNPSHKQLFF-UHFFFAOYSA-N
MDL Number	MFCD00005495

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	0
Topological Polar Surface Area	46.17 Å²
Heavy Atom Count	7
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.5
Log Po/w (iLOGP)	0.54
Log Po/w (XLOGP3)	-1.04
Log Po/w (WLOGP)	-0.96
Log Po/w (MLOGP)	-0.49
Log Po/w (SILICOS-IT)	0.75
Consensus Log Po/w	-0.24
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.64 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	1.0

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