Molecule

ID:1657

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀O
Molecular Mass
274.4409
Exact Mass
274.22966558
Charge
0
InChI
InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1
InChIKey
KRVXMNNRSSQZJP-PHFHYRSDSA-N
Canonic Smiles
O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2)C)C
Isomeric Smiles
O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
4.07
LogD (pH = 5.5)
4.07
Log P
4.07
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.36
Polar Surface Area
20.23
Polarizability
33.66
Molar Refractivity
84.23
LOG S
-5.58
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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