(Z)-2-(1H-benzimidazol-2-yl)-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile

Formula:C20H13N5O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(1H-benzimidazol-2-yl)-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(1H-benzimidazol-2-yl)-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enenitrile
MolecularFormula	C20H13N5O2
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C/c1cccn1-c1cccc([N+]([O-])=O)c1
InChI	InChI=1S/C20H13N5O2/c21-13-14(20-22-18-8-1-2-9-19(18)23-20)11-15-7-4-10-24(15)16-5-3-6-17(12-16)25(26)27/h1-12H,(H,22,23)
InChIK	BEUXEBNKTIFTJR-UHFFFAOYSA-N
TotalMolweight	355.356
Molweight	355.356
MonoisotopicMass	355.106925
CLogP	1.9686
CLogS	-5.921
H Acceptors	7
H Donors	1
TotalSurfaceArea	275
Relative PSA	0.27567
PolarSurfaceArea	103.22
Druglikeness	-7.7542
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Aromatic Nitrogens	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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