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C15H11N3O3ClF3 | Cheminformatics
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[(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate

Molecular Formula : C15H11N3O3ClF3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
[(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate is a drug-like molecule.

MolName : [(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate

MolecularFormula : C15H11N3O3ClF3

Smiles : N/C(/c(cc1)cnc1OCC(F)(F)F)=N/OC(c(cc1)ccc1Cl)=O

InChI : InChI=1S/C15H11ClF3N3O3/c16-11-4-1-9(2-5-11)14(23)25-22-13(20)10-3-6-12(21-7-10)24-8-15(17,18)19/h1-7H,8H2,(H2,20,22)

InChIK : FHFNHIVNDNIAPE-UHFFFAOYSA-N

TotalMolweight : 373.717

Molweight : 373.717

MonoisotopicMass : 373.044103

CLogP : 3.8492

CLogS : -5.06

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 259.66

Relative PSA : 0.27263

PolarSurfaceArea : 86.8

Druglikeness : -9.3762

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.68

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 7

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 4

Symmetricatoms : 4

Aromatic Nitrogens : 1

StereoCon :

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1 - [(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate
2 - [(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate
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