(3E)-3-[[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one

Formula:C18H12N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E)-3-[[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one is a drug-like molecule.

MolName	(3E)-3-[[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one
MolecularFormula	C18H12N4O3
Smiles	[O-][N+](c(cccc1)c1-c1c(/C=C(\c(cccc2)c2N2)/C2=O)cn[nH]1)=O
InChI	InChI=1S/C18H12N4O3/c23-18-14(12-5-1-3-7-15(12)20-18)9-11-10-19-21-17(11)13-6-2-4-8-16(13)22(24)25/h1-10H,(H,19,21)(H,20,23)
InChIK	XLYVQVWMTOLDNL-UHFFFAOYSA-N
TotalMolweight	332.318
Molweight	332.318
MonoisotopicMass	332.090941
CLogP	0.9879
CLogS	-4.18
H Acceptors	7
H Donors	2
TotalSurfaceArea	245.2
Relative PSA	0.32577
PolarSurfaceArea	103.6
Druglikeness	-0.12725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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