[(E)-[amino-(3-chlorophenyl)methylidene]amino] 3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanoate

Formula:C16H13N3O3ClF3 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino-(3-chlorophenyl)methylidene]amino] 3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanoate is a drug-like molecule.

MolName	[(E)-[amino-(3-chlorophenyl)methylidene]amino] 3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanoate
MolecularFormula	C16H13N3O3ClF3
Smiles	N/C(/c1cccc(Cl)c1)=N/OC(CCN(C=CC=C1C(F)(F)F)C1=O)=O
InChI	InChI=1S/C16H13ClF3N3O3/c17-11-4-1-3-10(9-11)14(21)22-26-13(24)6-8-23-7-2-5-12(15(23)25)16(18,19)20/h1-5,7,9H,6,8H2,(H2,21,22)
InChIK	IPOLCIMYDFKWDH-UHFFFAOYSA-N
TotalMolweight	387.744
Molweight	387.744
MonoisotopicMass	387.059753
CLogP	2.9306
CLogS	-4.293
H Acceptors	6
H Donors	1
TotalSurfaceArea	270.66
Relative PSA	0.24536
PolarSurfaceArea	84.99
Druglikeness	-6.1672
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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1 - [(E)-[amino-(3-chlorophenyl)methylidene]amino] 3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanoate | 2 - [(E)-[amino-(3-chlorophenyl)methylidene]amino] 3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanoate

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