[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 3-chlorobenzoate

Formula:C15H10N2O2ClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 3-chlorobenzoate is a drug-like molecule.

MolName	[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 3-chlorobenzoate
MolecularFormula	C15H10N2O2ClF3
Smiles	N/C(/c1cc(C(F)(F)F)ccc1)=N/OC(c1cccc(Cl)c1)=O
InChI	InChI=1S/C15H10ClF3N2O2/c16-12-6-2-4-10(8-12)14(22)23-21-13(20)9-3-1-5-11(7-9)15(17,18)19/h1-8H,(H2,20,21)
InChIK	HUPDLMLORUQVCJ-UHFFFAOYSA-N
TotalMolweight	342.703
Molweight	342.703
MonoisotopicMass	342.038289
CLogP	4.5264
CLogS	-5.05
H Acceptors	4
H Donors	1
TotalSurfaceArea	237.14
Relative PSA	0.21009
PolarSurfaceArea	64.68
Druglikeness	-9.8501
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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1 - [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 3-chlorobenzoate | 2 - [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 3-chlorobenzoate

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