(E)-3-(3-chlorophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide

Formula:C21H22N3O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-chlorophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(3-chlorophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide
MolecularFormula	C21H22N3O3ClS
Smiles	O=C(/C=C/c1cccc(Cl)c1)Nc1cc(S(NC2=NCCCCC2)(=O)=O)ccc1
InChI	InChI=1S/C21H22ClN3O3S/c22-17-7-4-6-16(14-17)11-12-21(26)24-18-8-5-9-19(15-18)29(27,28)25-20-10-2-1-3-13-23-20/h4-9,11-12,14-15H,1-3,10,13H2,(H,23,25)(H,24,26)
InChIK	OGPHZWILOUDLLQ-UHFFFAOYSA-N
TotalMolweight	431.943
Molweight	431.943
MonoisotopicMass	431.107039
CLogP	3.6502
CLogS	-5.051
H Acceptors	6
H Donors	2
TotalSurfaceArea	322.46
Relative PSA	0.23584
PolarSurfaceArea	96.01
Druglikeness	-7.4763
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	1
Amides	2
BasicNitrogens	1
StereoCon

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