(1E,4E)-1,5-bis(benzotriazol-1-yl)-1,2,4,5-tetrachloro-3-phenylpenta-1,4-dien-3-ol

Formula:C23H14N6OCl4 Mutagenic:high Tumorigenic:high Reproductive Effective:high (1E,4E)-1,5-bis(benzotriazol-1-yl)-1,2,4,5-tetrachloro-3-phenylpenta-1,4-dien-3-ol is not a drug-like molecule.

MolName	(1E,4E)-1,5-bis(benzotriazol-1-yl)-1,2,4,5-tetrachloro-3-phenylpenta-1,4-dien-3-ol
MolecularFormula	C23H14N6OCl4
Smiles	OC(/C(/Cl)=C(/n1nnc2c1cccc2)\Cl)(/C(/Cl)=C(/n1nnc2c1cccc2)\Cl)c1ccccc1
InChI	InChI=1S/C23H14Cl4N6O/c24-19(21(26)32-17-12-6-4-10-15(17)28-30-32)23(34,14-8-2-1-3-9-14)20(25)22(27)33-18-13-7-5-11-16(18)29-31-33/h1-13,34H
InChIK	XMPIUBPONYKRHU-UHFFFAOYSA-N
TotalMolweight	532.217
Molweight	532.217
MonoisotopicMass	529.998317
CLogP	5.9539
CLogS	-6.523
H Acceptors	7
H Donors	1
TotalSurfaceArea	359.7
Relative PSA	0.19661
PolarSurfaceArea	81.65
Druglikeness	-2.8021
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	1,2-dihalo-alkene
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	15
Aromatic Nitrogens	6
StereoCon

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