(E)-N-(3-imidazol-1-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide

Formula:C15H16N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(3-imidazol-1-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(3-imidazol-1-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide
MolecularFormula	C15H16N4O3
Smiles	[O-][N+](c1c(/C=C/C(NCCCn2cncc2)=O)cccc1)=O
InChI	InChI=1S/C15H16N4O3/c20-15(17-8-3-10-18-11-9-16-12-18)7-6-13-4-1-2-5-14(13)19(21)22/h1-2,4-7,9,11-12H,3,8,10H2,(H,17,20)
InChIK	WWHXAMXEMZVIKN-UHFFFAOYSA-N
TotalMolweight	300.317
Molweight	300.317
MonoisotopicMass	300.122241
CLogP	0.4277
CLogS	-2.136
H Acceptors	7
H Donors	1
TotalSurfaceArea	241.64
Relative PSA	0.30111
PolarSurfaceArea	92.74
Druglikeness	-1.8371
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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