4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine

Formula:C13H10N3O2F3 Mutagenic:high Tumorigenic:low Reproductive Effective:high 4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine is a drug-like molecule.

MolName	4-N-[2-nitro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine
MolecularFormula	C13H10N3O2F3
Smiles	Nc(cc1)ccc1Nc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O
InChI	InChI=1S/C13H10F3N3O2/c14-13(15,16)8-1-6-11(12(7-8)19(20)21)18-10-4-2-9(17)3-5-10/h1-7,18H,17H2
InChIK	WYNGTJNOFKSNFJ-UHFFFAOYSA-N
TotalMolweight	297.235
Molweight	297.235
MonoisotopicMass	297.072511
CLogP	2.4394
CLogS	-4.508
H Acceptors	5
H Donors	2
TotalSurfaceArea	206.13
Relative PSA	0.27725
PolarSurfaceArea	83.87
Druglikeness	-13.424
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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