[(Z)-[3-(2,4-dichloroanilino)-3-oxopropylidene]amino] N-phenylcarbamate

Formula:C16H13N3O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[3-(2,4-dichloroanilino)-3-oxopropylidene]amino] N-phenylcarbamate is a drug-like molecule.

MolName[(Z)-[3-(2,4-dichloroanilino)-3-oxopropylidene]amino] N-phenylcarbamate
MolecularFormulaC16H13N3O3Cl2
SmilesO=C(C/C=N\OC(Nc1ccccc1)=O)Nc(ccc(Cl)c1)c1Cl
InChIInChI=1S/C16H13Cl2N3O3/c17-11-6-7-14(13(18)10-11)21-15(22)8-9-19-24-16(23)20-12-4-2-1-3-5-12/h1-7,9-10H,8H2,(H,20,23)(H,21,22)
InChIKWVJNRGUUPHPYKK-UHFFFAOYSA-N
TotalMolweight366.203
Molweight366.203
MonoisotopicMass365.033396
CLogP4.2098
CLogS-5.755
H Acceptors6
H Donors2
TotalSurfaceArea270.8
Relative PSA0.26038
PolarSurfaceArea79.79
Druglikeness-5.0455
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functions
Shape Index0.70833
Fragments1
Non HAtoms24
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms2
Amides2
StereoCon

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