7-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

Formula:C15H15N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is a drug-like molecule.

MolName	7-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
MolecularFormula	C15H15N3O2
Smiles	O=C(C1C2C1)NN=C2c(cc1)cc(CCC2)c1NC2=O
InChI	InChI=1S/C15H15N3O2/c19-13-3-1-2-8-6-9(4-5-12(8)16-13)14-10-7-11(10)15(20)18-17-14/h4-6,10-11H,1-3,7H2,(H,16,19)(H,18,20)
InChIK	CBWSTCQWNAULFK-UHFFFAOYSA-N
TotalMolweight	269.303
Molweight	269.303
MonoisotopicMass	269.116427
CLogP	1.1103
CLogS	-4.064
H Acceptors	5
H Donors	2
TotalSurfaceArea	194.19
Relative PSA	0.3116
PolarSurfaceArea	70.56
Druglikeness	0.67064
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	2
Rotatable Bond	1
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Amides	1
StereoCon	unknown chirality

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1 - 7-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one | 2 - 7-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

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