(4E,15E,26E)-triaconta-4,15,26-trien-1,29-diyne-3,28-diol

Formula:C30H48O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E,15E,26E)-triaconta-4,15,26-trien-1,29-diyne-3,28-diol is not a drug-like molecule.

MolName	(4E,15E,26E)-triaconta-4,15,26-trien-1,29-diyne-3,28-diol
MolecularFormula	C30H48O2
Smiles	C#CC(/C=C/CCCCCCCCC/C=C/CCCCCCCCC/C=C/C(C#C)O)O
InChI	InChI=1S/C30H48O2/c1-3-29(31)27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30(32)4-2/h1-2,5-6,25-32H,7-24H2
InChIK	XFALGIQXDHGEPT-UHFFFAOYSA-N
TotalMolweight	440.709
Molweight	440.709
MonoisotopicMass	440.36543
CLogP	9.2332
CLogS	-7.17
H Acceptors	2
H Donors	2
TotalSurfaceArea	426
Relative PSA	0.061502
PolarSurfaceArea	40.46
Druglikeness	-10.142
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.9375
Fragments	1
Non HAtoms	32
NonCHAtoms	2
Electronegative Atoms	2
StereoCenters	2
Rotatable Bond	22
Sp3Atoms	22
Symmetricatoms	16
StereoCon	unknown chirality

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