(1E)-4-[7-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]benzotriazol-1-yl]-1,3-diphenylpenta-1,4-dien-3-ol

Formula:C38H31N3O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (1E)-4-[7-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]benzotriazol-1-yl]-1,3-diphenylpenta-1,4-dien-3-ol is not a drug-like molecule.

MolName	(1E)-4-[7-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]benzotriazol-1-yl]-1,3-diphenylpenta-1,4-dien-3-ol
MolecularFormula	C38H31N3O2
Smiles	C=C(C(/C=C/c1ccccc1)(c1ccccc1)O)n1nnc2cccc(C(/C=C/c3ccccc3)(c3ccccc3)O)c12
InChI	InChI=1S/C38H31N3O2/c1-29(37(42,32-19-10-4-11-20-32)27-25-30-15-6-2-7-16-30)41-36-34(23-14-24-35(36)39-40-41)38(43,33-21-12-5-13-22-33)28-26-31-17-8-3-9-18-31/h2-28,42-43H,1H2
InChIK	UFKGPLVBQGYWRP-UHFFFAOYSA-N
TotalMolweight	561.683
Molweight	561.683
MonoisotopicMass	561.241627
CLogP	7.6017
CLogS	-8.217
H Acceptors	5
H Donors	2
TotalSurfaceArea	442.89
Relative PSA	0.12421
PolarSurfaceArea	71.17
Druglikeness	-5.2302
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.4186
Fragments	1
Non HAtoms	43
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	2
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	33
Sp3Atoms	4
Symmetricatoms	8
Aromatic Nitrogens	3
StereoCon	unknown chirality

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1 - (1E)-4-[7-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]benzotriazol-1-yl]-1,3-diphenylpenta-1,4-dien-3-ol | 2 - (1E)-4-[7-[(E)-1-hydroxy-1,3-diphenylprop-2-enyl]benzotriazol-1-yl]-1,3-diphenylpenta-1,4-dien-3-ol

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