N-[(Z)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide

Formula:C23H17N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide is not a drug-like molecule.

MolName	N-[(Z)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
MolecularFormula	C23H17N2O4Cl
Smiles	O=C(/C(/NC(c(cccc1)c1Cl)=O)=C/c(cc1)cc2c1OCO2)Nc1ccccc1
InChI	InChI=1S/C23H17ClN2O4/c24-18-9-5-4-8-17(18)22(27)26-19(23(28)25-16-6-2-1-3-7-16)12-15-10-11-20-21(13-15)30-14-29-20/h1-13H,14H2,(H,25,28)(H,26,27)
InChIK	CXVPPEKCFRURIE-UHFFFAOYSA-N
TotalMolweight	420.851
Molweight	420.851
MonoisotopicMass	420.087685
CLogP	5.1412
CLogS	-6.32
H Acceptors	6
H Donors	2
TotalSurfaceArea	311.59
Relative PSA	0.22144
PolarSurfaceArea	76.66
Druglikeness	2.9597
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

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1 - N-[(Z)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide | 2 - N-[(Z)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide

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