[(E)-[amino-[4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]methylidene]amino] 4-chlorobenzoate

Formula:C23H14N4O2ClF3S Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-[4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]methylidene]amino] 4-chlorobenzoate is not a drug-like molecule.

MolName	[(E)-[amino-[4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]methylidene]amino] 4-chlorobenzoate
MolecularFormula	C23H14N4O2ClF3S
Smiles	N/C(/c(cc1)ccc1-c1csc(-c2c(C(F)(F)F)ccnc2)n1)=N/OC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C23H14ClF3N4O2S/c24-16-7-5-15(6-8-16)22(32)33-31-20(28)14-3-1-13(2-4-14)19-12-34-21(30-19)17-11-29-10-9-18(17)23(25,26)27/h1-12H,(H2,28,31)
InChIK	MXPKYHWEEKEPGZ-UHFFFAOYSA-N
TotalMolweight	502.903
Molweight	502.903
MonoisotopicMass	502.047807
CLogP	5.9308
CLogS	-6.36
H Acceptors	6
H Donors	1
TotalSurfaceArea	350.12
Relative PSA	0.26311
PolarSurfaceArea	118.7
Druglikeness	-6.9251
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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1 - [(E)-[amino-[4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]methylidene]amino] 4-chlorobenzoate | 2 - [(E)-[amino-[4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]methylidene]amino] 4-chlorobenzoate

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