(E)-2-(1H-benzimidazol-2-yl)-3-[4-(1,3-dihydroisoindol-2-yl)phenyl]prop-2-enenitrile

Formula:C24H18N4 Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[4-(1,3-dihydroisoindol-2-yl)phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[4-(1,3-dihydroisoindol-2-yl)phenyl]prop-2-enenitrile
MolecularFormula	C24H18N4
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)ccc1N(C1)Cc2c1cccc2
InChI	InChI=1S/C24H18N4/c25-14-20(24-26-22-7-3-4-8-23(22)27-24)13-17-9-11-21(12-10-17)28-15-18-5-1-2-6-19(18)16-28/h1-13H,15-16H2,(H,26,27)
InChIK	TYFVUGDEDGULEP-UHFFFAOYSA-N
TotalMolweight	362.435
Molweight	362.435
MonoisotopicMass	362.153146
CLogP	3.3101
CLogS	-4.72
H Acceptors	4
H Donors	1
TotalSurfaceArea	286.45
Relative PSA	0.14687
PolarSurfaceArea	55.71
Druglikeness	-1.4523
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	6
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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