6-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-3,4-dihydro-1H-quinolin-2-one

Formula:C14H13N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-3,4-dihydro-1H-quinolin-2-one is a drug-like molecule.

MolName	6-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-3,4-dihydro-1H-quinolin-2-one
MolecularFormula	C14H13N3O2
Smiles	O=C(CC1)Nc(cc2)c1cc2C(C1C2C1)=NNC2=O
InChI	InChI=1S/C14H13N3O2/c18-12-4-2-7-5-8(1-3-11(7)15-12)13-9-6-10(9)14(19)17-16-13/h1,3,5,9-10H,2,4,6H2,(H,15,18)(H,17,19)
InChIK	LYGJKDQCOGHYOE-UHFFFAOYSA-N
TotalMolweight	255.276
Molweight	255.276
MonoisotopicMass	255.100777
CLogP	0.7683
CLogS	-3.794
H Acceptors	5
H Donors	2
TotalSurfaceArea	180.43
Relative PSA	0.33537
PolarSurfaceArea	70.56
Druglikeness	3.9806
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	2
Rotatable Bond	1
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Amides	1
StereoCon	unknown chirality

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