(E)-2-(1H-benzimidazol-2-yl)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-nitrophenyl]prop-2-enenitrile

Formula:C23H14N4O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-nitrophenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-nitrophenyl]prop-2-enenitrile
MolecularFormula	C23H14N4O3ClF
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)cc([N+]([O-])=O)c1OCc(c(F)ccc1)c1Cl
InChI	InChI=1S/C23H14ClFN4O3/c24-17-4-3-5-18(25)16(17)13-32-22-9-8-14(11-21(22)29(30)31)10-15(12-26)23-27-19-6-1-2-7-20(19)28-23/h1-11H,13H2,(H,27,28)
InChIK	BRPAUIRIENXJBH-UHFFFAOYSA-N
TotalMolweight	448.84
Molweight	448.84
MonoisotopicMass	448.073846
CLogP	3.7846
CLogS	-5.975
H Acceptors	7
H Donors	1
TotalSurfaceArea	331.33
Relative PSA	0.23825
PolarSurfaceArea	107.52
Druglikeness	-10.287
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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