(Z)-N-(2,4-dinitrophenoxy)-1-[4-(trifluoromethyl)phenyl]methanimine

Formula:C14H8N3O5F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-(2,4-dinitrophenoxy)-1-[4-(trifluoromethyl)phenyl]methanimine is a drug-like molecule.

MolName(Z)-N-(2,4-dinitrophenoxy)-1-[4-(trifluoromethyl)phenyl]methanimine
MolecularFormulaC14H8N3O5F3
Smiles[O-][N+](c(cc1)cc([N+]([O-])=O)c1O/N=C\c1ccc(C(F)(F)F)cc1)=O
InChIInChI=1S/C14H8F3N3O5/c15-14(16,17)10-3-1-9(2-4-10)8-18-25-13-6-5-11(19(21)22)7-12(13)20(23)24/h1-8H
InChIKFQPNDYHMRKXZPS-UHFFFAOYSA-N
TotalMolweight355.228
Molweight355.228
MonoisotopicMass355.041606
CLogP2.7018
CLogS-6.083
H Acceptors8
TotalSurfaceArea244.58
Relative PSA0.3367
PolarSurfaceArea113.23
Druglikeness-12.597
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.6
Fragments1
Non HAtoms25
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms4
AcidicOxygens2
StereoCon

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