(3E)-3-amino-3-[2-(3-chloroanilino)-2-oxoethoxy]imino-N-cyclohexylpropanamide

Formula:C17H23N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E)-3-amino-3-[2-(3-chloroanilino)-2-oxoethoxy]imino-N-cyclohexylpropanamide is a drug-like molecule.

MolName	(3E)-3-amino-3-[2-(3-chloroanilino)-2-oxoethoxy]imino-N-cyclohexylpropanamide
MolecularFormula	C17H23N4O3Cl
Smiles	N/C(/CC(NC1CCCCC1)=O)=N/OCC(Nc1cccc(Cl)c1)=O
InChI	InChI=1S/C17H23ClN4O3/c18-12-5-4-8-14(9-12)21-17(24)11-25-22-15(19)10-16(23)20-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-11H2,(H2,19,22)(H,20,23)(H,21,24)
InChIK	NQNIHJCXLFDXEL-UHFFFAOYSA-N
TotalMolweight	366.848
Molweight	366.848
MonoisotopicMass	366.145868
CLogP	2.2137
CLogS	-4.235
H Acceptors	7
H Donors	3
TotalSurfaceArea	283.91
Relative PSA	0.30214
PolarSurfaceArea	105.81
Druglikeness	-1.3149
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	2
Amides	2
StereoCon

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