(2Z)-2-(carbamoylhydrazinylidene)-3-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-N-(2,4-dichlorophenyl)propanamide

Formula:C18H13N6O3Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-(carbamoylhydrazinylidene)-3-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-N-(2,4-dichlorophenyl)propanamide is a drug-like molecule.

MolName(2Z)-2-(carbamoylhydrazinylidene)-3-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-N-(2,4-dichlorophenyl)propanamide
MolecularFormulaC18H13N6O3Cl3
SmilesNC(N/N=C(/CC1=Nc(ccc(Cl)c2)c2NC1=O)\C(Nc(ccc(Cl)c1)c1Cl)=O)=O
InChIInChI=1S/C18H13Cl3N6O3/c19-8-1-3-11(10(21)5-8)24-17(29)15(26-27-18(22)30)7-14-16(28)25-13-6-9(20)2-4-12(13)23-14/h1-6H,7H2,(H,24,29)(H,25,28)(H3,22,27,30)
InChIKQYSOUBGSALGQIK-UHFFFAOYSA-N
TotalMolweight467.699
Molweight467.699
MonoisotopicMass466.01147
CLogP2.0642
CLogS-6.26
H Acceptors9
H Donors4
TotalSurfaceArea321.63
Relative PSA0.34757
PolarSurfaceArea138.04
Druglikeness5.8483
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functions
Shape Index0.53333
Fragments1
Non HAtoms30
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Amides3
StereoCon

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