N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide

Formula:C20H16N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.

MolName	N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide
MolecularFormula	C20H16N4O3
Smiles	[O-][N+](c1c(/C=C/C=N\NC(c(cccc2)c2-n2cccc2)=O)cccc1)=O
InChI	InChI=1S/C20H16N4O3/c25-20(17-10-2-4-12-19(17)23-14-5-6-15-23)22-21-13-7-9-16-8-1-3-11-18(16)24(26)27/h1-15H,(H,22,25)
InChIK	DHSGLANRWYEIOW-UHFFFAOYSA-N
TotalMolweight	360.372
Molweight	360.372
MonoisotopicMass	360.122241
CLogP	2.4832
CLogS	-6.786
H Acceptors	7
H Donors	1
TotalSurfaceArea	286.12
Relative PSA	0.25619
PolarSurfaceArea	92.21
Druglikeness	-0.066627
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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