(E)-N'-(2,3-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enediamide

Formula:C20H18N2O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N'-(2,3-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enediamide is a drug-like molecule.

MolName	(E)-N'-(2,3-dichlorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enediamide
MolecularFormula	C20H18N2O2Cl2
Smiles	O=C(/C=C/C(Nc1cccc(Cl)c1Cl)=O)NC(CCC1)c2c1cccc2
InChI	InChI=1S/C20H18Cl2N2O2/c21-15-8-4-10-17(20(15)22)24-19(26)12-11-18(25)23-16-9-3-6-13-5-1-2-7-14(13)16/h1-2,4-5,7-8,10-12,16H,3,6,9H2,(H,23,25)(H,24,26)/t16-/m0/s1
InChIK	WNJWXPLFAQZHBB-INIZCTEOSA-N
TotalMolweight	389.281
Molweight	389.281
MonoisotopicMass	388.074532
CLogP	4.3555
CLogS	-5.192
H Acceptors	4
H Donors	2
TotalSurfaceArea	289.06
Relative PSA	0.16951
PolarSurfaceArea	58.2
Druglikeness	-1.8526
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	2
StereoCon	racemate

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