Molecule

ID:43844

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈O
Molecular Mass
248.40362
Exact Mass
248.21401552
Charge
0
InChI
InChI=1S/C17H28O/c1-10(2)14-8-15(11(3)4)17(13(7)18)16(9-14)12(5)6/h8-13,18H,1-7H3/t13-/m0/s1
InChIKey
VYKPQIIFUMKNLF-ZDUSSCGKSA-N
Canonic Smiles
CC(c1cc(C(C)C)c(c(c1)C(C)C)[C@@H](O)C)C
Isomeric Smiles
c1(c(c(cc(c1)C(C)C)C(C)C)[C@@H](O)C)C(C)C
Calculated Properties
JChem
Acid pKa
14.82695
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.3574986
LogD (pH = 7.4)
5.3574986
Log P
5.3574986
Molar Refractivity
79.8651
Polarizability
31.01293
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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