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

Formula:C15H16N3OCl Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
MolecularFormula	C15H16N3OCl
Smiles	O=C(/C=C/c(cccc1)c1Cl)NCCCn1cncc1
InChI	InChI=1S/C15H16ClN3O/c16-14-5-2-1-4-13(14)6-7-15(20)18-8-3-10-19-11-9-17-12-19/h1-2,4-7,9,11-12H,3,8,10H2,(H,18,20)
InChIK	UBKRMUCGANDDKC-UHFFFAOYSA-N
TotalMolweight	289.765
Molweight	289.765
MonoisotopicMass	289.098189
CLogP	2.1257
CLogS	-2.412
H Acceptors	4
H Donors	1
TotalSurfaceArea	233.39
Relative PSA	0.18141
PolarSurfaceArea	46.92
Druglikeness	3.26
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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