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

Formula:C13H11N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-1,3-dihydroindol-2-one is a drug-like molecule.

MolName	5-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-1,3-dihydroindol-2-one
MolecularFormula	C13H11N3O2
Smiles	O=C(C1)Nc(cc2)c1cc2C(C1C2C1)=NNC2=O
InChI	InChI=1S/C13H11N3O2/c17-11-4-7-3-6(1-2-10(7)14-11)12-8-5-9(8)13(18)16-15-12/h1-3,8-9H,4-5H2,(H,14,17)(H,16,18)
InChIK	WKRDMGCTYHMISA-UHFFFAOYSA-N
TotalMolweight	241.249
Molweight	241.249
MonoisotopicMass	241.085127
CLogP	0.4263
CLogS	-3.524
H Acceptors	5
H Donors	2
TotalSurfaceArea	166.67
Relative PSA	0.36305
PolarSurfaceArea	70.56
Druglikeness	5.1138
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	2
Rotatable Bond	1
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Amides	1
StereoCon	unknown chirality

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