[(E)-[1-amino-2-(2-oxopyrrolidin-1-yl)ethylidene]amino] 4-chlorobenzoate

Formula:C13H14N3O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-(2-oxopyrrolidin-1-yl)ethylidene]amino] 4-chlorobenzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(2-oxopyrrolidin-1-yl)ethylidene]amino] 4-chlorobenzoate
MolecularFormula	C13H14N3O3Cl
Smiles	N/C(/CN(CCC1)C1=O)=N/OC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C13H14ClN3O3/c14-10-5-3-9(4-6-10)13(19)20-16-11(15)8-17-7-1-2-12(17)18/h3-6H,1-2,7-8H2,(H2,15,16)
InChIK	OFXKHSVBMGAQFT-UHFFFAOYSA-N
TotalMolweight	295.725
Molweight	295.725
MonoisotopicMass	295.072369
CLogP	1.7526
CLogS	-2.893
H Acceptors	6
H Donors	1
TotalSurfaceArea	217.51
Relative PSA	0.30532
PolarSurfaceArea	84.99
Druglikeness	1.2442
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

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