(4E,12E,27E,43E)-hexatetraconta-4,12,27,43-tetraen-1,18,21,45-tetrayne-3,20-diol

Formula:C46H70O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E,12E,27E,43E)-hexatetraconta-4,12,27,43-tetraen-1,18,21,45-tetrayne-3,20-diol is not a drug-like molecule.

MolName	(4E,12E,27E,43E)-hexatetraconta-4,12,27,43-tetraen-1,18,21,45-tetrayne-3,20-diol
MolecularFormula	C46H70O2
Smiles	C#CC(/C=C/CCCCCC/C=C/CCCCC#CC(C#CCCCC/C=C/CCCCCCCCCCCCCC/C=C/C#C)O)O
InChI	InChI=1S/C46H70O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-40-43-46(48)44-41-38-35-32-29-26-23-22-24-27-30-33-36-39-42-45(47)4-2/h1-2,5-6,21,23,25-26,39,42,45-48H,7-20,22,24,27-38H2
InChIK	NNHVKLPHDUEJMM-UHFFFAOYSA-N
TotalMolweight	655.06
Molweight	655.06
MonoisotopicMass	654.53758
CLogP	15.516
CLogS	-14.554
H Acceptors	2
H Donors	2
TotalSurfaceArea	649.7
Relative PSA	0.040326
PolarSurfaceArea	40.46
Druglikeness	-14.097
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.95833
Fragments	1
Non HAtoms	48
NonCHAtoms	2
Electronegative Atoms	2
StereoCenters	2
Rotatable Bond	33
Sp3Atoms	32
StereoCon	unknown chirality

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1 - (4E,12E,27E,43E)-hexatetraconta-4,12,27,43-tetraen-1,18,21,45-tetrayne-3,20-diol | 2 - (4E,12E,27E,43E)-hexatetraconta-4,12,27,43-tetraen-1,18,21,45-tetrayne-3,20-diol

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