(E)-3-(4-chloro-3-nitrophenyl)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)prop-2-enamide

Formula:C19H17N3O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chloro-3-nitrophenyl)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-chloro-3-nitrophenyl)-N-(3-chloro-2-pyrrolidin-1-ylphenyl)prop-2-enamide
MolecularFormula	C19H17N3O3Cl2
Smiles	[O-][N+](c(cc(/C=C/C(Nc1cccc(Cl)c1N1CCCC1)=O)cc1)c1Cl)=O
InChI	InChI=1S/C19H17Cl2N3O3/c20-14-8-6-13(12-17(14)24(26)27)7-9-18(25)22-16-5-3-4-15(21)19(16)23-10-1-2-11-23/h3-9,12H,1-2,10-11H2,(H,22,25)
InChIK	UUKOADJMHUJMTO-UHFFFAOYSA-N
TotalMolweight	406.268
Molweight	406.268
MonoisotopicMass	405.064696
CLogP	3.9177
CLogS	-6.152
H Acceptors	6
H Donors	1
TotalSurfaceArea	295.08
Relative PSA	0.19815
PolarSurfaceArea	78.16
Druglikeness	-3.3716
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
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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