(E)-1-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one

Formula:C23H18N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one
MolecularFormula	C23H18N4O3
Smiles	[O-][N+](c1ccc(/C=C/C(c(cc2)ccc2NCc2nc(cccc3)c3[nH]2)=O)cc1)=O
InChI	InChI=1S/C23H18N4O3/c28-22(14-7-16-5-12-19(13-6-16)27(29)30)17-8-10-18(11-9-17)24-15-23-25-20-3-1-2-4-21(20)26-23/h1-14,24H,15H2,(H,25,26)
InChIK	ZTGCXJWWCMAREW-UHFFFAOYSA-N
TotalMolweight	398.421
Molweight	398.421
MonoisotopicMass	398.137891
CLogP	2.766
CLogS	-5.178
H Acceptors	7
H Donors	2
TotalSurfaceArea	308.85
Relative PSA	0.25864
PolarSurfaceArea	103.6
Druglikeness	-3.2725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-1-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one | 2 - (E)-1-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one

Request More Details | (E)-1-[4-(1H-benzimidazol-2-ylmethylamino)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments