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C16H11N2OClF4 | Cheminformatics
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2-chloro-N-[(E)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline

Molecular Formula : C16H11N2OClF4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-chloro-N-[(E)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline is not a drug-like molecule.

MolName : 2-chloro-N-[(E)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline

MolecularFormula : C16H11N2OClF4

Smiles : FC(c(cc1)cc(N/N=C2/c(cc(cc3)F)c3OCC2)c1Cl)(F)F

InChI : InChI=1S/C16H11ClF4N2O/c17-12-3-1-9(16(19,20)21)7-14(12)23-22-13-5-6-24-15-4-2-10(18)8-11(13)15/h1-4,7-8,23H,5-6H2

InChIK : LOHFDLDMUBNROV-UHFFFAOYSA-N

TotalMolweight : 358.721

Molweight : 358.721

MonoisotopicMass : 358.049602

CLogP : 6.4797

CLogS : -5.471

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 242.7

Relative PSA : 0.13585

PolarSurfaceArea : 33.62

Druglikeness : -6.4879

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : high

Nasty Functions :

Shape Index : 0.5

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 4

Symmetricatoms : 2

StereoCon :

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1 - 2-chloro-N-[(E)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline
2 - 2-chloro-N-[(E)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline
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