(E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dichloro-5-nitrophenyl)prop-2-enenitrile

Formula:C16H8N4O2Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:low (E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dichloro-5-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dichloro-5-nitrophenyl)prop-2-enenitrile
MolecularFormula	C16H8N4O2Cl2
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(c(Cl)c1)cc([N+]([O-])=O)c1Cl
InChI	InChI=1S/C16H8Cl2N4O2/c17-11-7-12(18)15(22(23)24)6-9(11)5-10(8-19)16-20-13-3-1-2-4-14(13)21-16/h1-7H,(H,20,21)
InChIK	HSVUSPMAENLGMF-UHFFFAOYSA-N
TotalMolweight	359.172
Molweight	359.172
MonoisotopicMass	358.00243
CLogP	2.9417
CLogS	-5.056
H Acceptors	6
H Donors	1
TotalSurfaceArea	256.88
Relative PSA	0.26837
PolarSurfaceArea	98.29
Druglikeness	-8.8339
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dichloro-5-nitrophenyl)prop-2-enenitrile | 2 - (E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dichloro-5-nitrophenyl)prop-2-enenitrile

Request More Details | (E)-2-(1H-benzimidazol-2-yl)-3-(2,4-dichloro-5-nitrophenyl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments