[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 4-phenoxybutanoate

Formula:C18H18N2O3Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 4-phenoxybutanoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 4-phenoxybutanoate
MolecularFormula	C18H18N2O3Cl2
Smiles	N/C(/Cc(ccc(Cl)c1)c1Cl)=N/OC(CCCOc1ccccc1)=O
InChI	InChI=1S/C18H18Cl2N2O3/c19-14-9-8-13(16(20)12-14)11-17(21)22-25-18(23)7-4-10-24-15-5-2-1-3-6-15/h1-3,5-6,8-9,12H,4,7,10-11H2,(H2,21,22)
InChIK	DVCGFZQIAQIBSV-UHFFFAOYSA-N
TotalMolweight	381.258
Molweight	381.258
MonoisotopicMass	380.069447
CLogP	4.7659
CLogS	-5.293
H Acceptors	5
H Donors	1
TotalSurfaceArea	288.14
Relative PSA	0.20761
PolarSurfaceArea	73.91
Druglikeness	-8.7178
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.72
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
StereoCon

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