(E)-2-(1H-benzimidazol-2-yl)-3-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C23H14N3OCl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H14N3OCl2F
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc(cc1)Cl)c1OCc(c(F)ccc1)c1Cl
InChI	InChI=1S/C23H14Cl2FN3O/c24-16-8-9-22(30-13-17-18(25)4-3-5-19(17)26)14(11-16)10-15(12-27)23-28-20-6-1-2-7-21(20)29-23/h1-11H,13H2,(H,28,29)
InChIK	BOUWIMRKXLJRDP-UHFFFAOYSA-N
TotalMolweight	438.288
Molweight	438.288
MonoisotopicMass	437.049794
CLogP	5.4826
CLogS	-6.251
H Acceptors	4
H Donors	1
TotalSurfaceArea	323.08
Relative PSA	0.15018
PolarSurfaceArea	61.7
Druglikeness	-5.259
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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