Molecule

ID:103117

General Information
Structure
MolImage
Molecular Formula
C₂₇H₄₈O
Molecular Mass
388.66942
Exact Mass
388.37051616
Charge
0
InChI
InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
QYIXCDOBOSTCEI-KKFSNPNRSA-N
Canonic Smiles
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)O)C)C
Isomeric Smiles
O[C@@H]1CC[C@]2([C@H](CC[C@H]3[C@@H]4CC[C@@H]([C@@]4(C)CC[C@H]23)[C@H](C)CCCC(C)C)C1)C
Calculated Properties
JChem
Acid pKa
18.296396
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.5184684
LogD (pH = 7.4)
7.5184684
Log P
7.5184684
Molar Refractivity
119.7665
Polarizability
48.212616
Polar Surface Area
20.23
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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