N-[(Z)-anthracen-9-ylmethylideneamino]-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide

Formula:C30H21N3O3ClF3S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-anthracen-9-ylmethylideneamino]-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide is not a drug-like molecule.

MolName	N-[(Z)-anthracen-9-ylmethylideneamino]-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide
MolecularFormula	C30H21N3O3ClF3S
Smiles	O=C(CN(c(cc1)cc(C(F)(F)F)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C30H21ClF3N3O3S/c31-28-15-14-22(17-27(28)30(32,33)34)37(41(39,40)23-10-2-1-3-11-23)19-29(38)36-35-18-26-24-12-6-4-8-20(24)16-21-9-5-7-13-25(21)26/h1-18H,19H2,(H,36,38)
InChIK	OMEWHQJZBNRZIO-UHFFFAOYSA-N
TotalMolweight	596.028
Molweight	596.028
MonoisotopicMass	595.094423
CLogP	6.8939
CLogS	-9.652
H Acceptors	6
H Donors	1
TotalSurfaceArea	413.47
Relative PSA	0.1648
PolarSurfaceArea	87.22
Druglikeness	-10.864
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.39024
Fragments	1
Non HAtoms	41
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	3
Symmetricatoms	11
Amides	1
StereoCon

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