(E)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide

Formula:C19H18N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C19H18N3O3Cl
Smiles	[O-][N+](c1cccc(/C=C/C(Nc2cccc(Cl)c2N2CCCC2)=O)c1)=O
InChI	InChI=1S/C19H18ClN3O3/c20-16-7-4-8-17(19(16)22-11-1-2-12-22)21-18(24)10-9-14-5-3-6-15(13-14)23(25)26/h3-10,13H,1-2,11-12H2,(H,21,24)
InChIK	XZVXOZKAWYNBPI-UHFFFAOYSA-N
TotalMolweight	371.823
Molweight	371.823
MonoisotopicMass	371.103669
CLogP	3.3117
CLogS	-5.416
H Acceptors	6
H Donors	1
TotalSurfaceArea	279.66
Relative PSA	0.20908
PolarSurfaceArea	78.16
Druglikeness	-3.3716
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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