(1Z,4E)-2-(benzotriazol-1-yl)-1,3,5-triphenylpenta-1,4-dien-3-ol

Formula:C29H23N3O Mutagenic:high Tumorigenic:high Reproductive Effective:none (1Z,4E)-2-(benzotriazol-1-yl)-1,3,5-triphenylpenta-1,4-dien-3-ol is not a drug-like molecule.

MolName	(1Z,4E)-2-(benzotriazol-1-yl)-1,3,5-triphenylpenta-1,4-dien-3-ol
MolecularFormula	C29H23N3O
Smiles	OC(/C=C/c1ccccc1)(/C(/n1nnc2c1cccc2)=C/c1ccccc1)c1ccccc1
InChI	InChI=1S/C29H23N3O/c33-29(25-16-8-3-9-17-25,21-20-23-12-4-1-5-13-23)28(22-24-14-6-2-7-15-24)32-27-19-11-10-18-26(27)30-31-32/h1-22,33H/t29-/m1/s1
InChIK	CDYMJNISJORIDO-GDLZYMKVSA-N
TotalMolweight	429.522
Molweight	429.522
MonoisotopicMass	429.184112
CLogP	6.2911
CLogS	-6.764
H Acceptors	4
H Donors	1
TotalSurfaceArea	341.83
Relative PSA	0.1226
PolarSurfaceArea	50.94
Druglikeness	-2.1194
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.39394
Fragments	1
Non HAtoms	33
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon	racemate

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