4-amino-N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide

Formula:C22H17N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide is a drug-like molecule.

MolName	4-amino-N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide
MolecularFormula	C22H17N5O3
Smiles	Nc(cc1)ccc1C(N/C(/c1nc(cccc2)c2[nH]1)=C/c1cccc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C22H17N5O3/c23-16-10-8-15(9-11-16)22(28)26-20(13-14-4-3-5-17(12-14)27(29)30)21-24-18-6-1-2-7-19(18)25-21/h1-13H,23H2,(H,24,25)(H,26,28)
InChIK	VVLMOCPBCDHIQY-UHFFFAOYSA-N
TotalMolweight	399.409
Molweight	399.409
MonoisotopicMass	399.13314
CLogP	2.3355
CLogS	-4.76
H Acceptors	8
H Donors	3
TotalSurfaceArea	301.82
Relative PSA	0.31525
PolarSurfaceArea	129.62
Druglikeness	-2.8709
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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