(Z)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C23H15N4O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H15N4O3Br
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C/c(cc1)cc(Br)c1OCc(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C23H15BrN4O3/c24-19-12-16(11-17(13-25)23-26-20-3-1-2-4-21(20)27-23)7-10-22(19)31-14-15-5-8-18(9-6-15)28(29)30/h1-12H,14H2,(H,26,27)
InChIK	TVNCDPZOYICHQA-UHFFFAOYSA-N
TotalMolweight	475.301
Molweight	475.301
MonoisotopicMass	474.032752
CLogP	3.803
CLogS	-5.759
H Acceptors	7
H Donors	1
TotalSurfaceArea	328.19
Relative PSA	0.24053
PolarSurfaceArea	107.52
Druglikeness	-10.843
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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