[(E)-[amino-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] 2-fluorobenzoate

Formula:C21H13N3O5F4 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] 2-fluorobenzoate is a drug-like molecule.

MolName	[(E)-[amino-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] 2-fluorobenzoate
MolecularFormula	C21H13N3O5F4
Smiles	N/C(/c(cc1)ccc1Oc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O)=N/OC(c(cccc1)c1F)=O
InChI	InChI=1S/C21H13F4N3O5/c22-16-4-2-1-3-15(16)20(29)33-27-19(26)12-5-8-14(9-6-12)32-18-10-7-13(21(23,24)25)11-17(18)28(30)31/h1-11H,(H2,26,27)
InChIK	IMPOTCTVOFDCAC-UHFFFAOYSA-N
TotalMolweight	463.342
Molweight	463.342
MonoisotopicMass	463.079134
CLogP	4.4952
CLogS	-7.385
H Acceptors	8
H Donors	1
TotalSurfaceArea	321.5
Relative PSA	0.28068
PolarSurfaceArea	119.73
Druglikeness	-14.97
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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1 - [(E)-[amino-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] 2-fluorobenzoate | 2 - [(E)-[amino-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] 2-fluorobenzoate

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