2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide

Formula:C16H13N5O4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
MolecularFormula	C16H13N5O4ClF
Smiles	[O-][N+](c(cc1)cc(Cl)c1NC(NCC(N/N=C\c1cc(F)ccc1)=O)=O)=O
InChI	InChI=1S/C16H13ClFN5O4/c17-13-7-12(23(26)27)4-5-14(13)21-16(25)19-9-15(24)22-20-8-10-2-1-3-11(18)6-10/h1-8H,9H2,(H,22,24)(H2,19,21,25)
InChIK	LUEMMRXLCVKGOW-UHFFFAOYSA-N
TotalMolweight	393.761
Molweight	393.761
MonoisotopicMass	393.06401
CLogP	2.0644
CLogS	-5.514
H Acceptors	9
H Donors	3
TotalSurfaceArea	286.86
Relative PSA	0.35693
PolarSurfaceArea	128.41
Druglikeness	-0.91905
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide | 2 - 2-[(2-chloro-4-nitrophenyl)carbamoylamino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide

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