Molecule

ID:125687

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₄O₂
Molecular Mass
318.49346
Exact Mass
318.25588033
Charge
0
InChI
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14?,15-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey
AURFZBICLPNKBZ-JMTGGFPBSA-N
Canonic Smiles
O[C@@H]1CC[C@]2(C(C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C
Isomeric Smiles
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Calculated Properties
JChem
Acid pKa
18.296396
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.986938
LogD (pH = 7.4)
3.986938
Log P
3.986938
Molar Refractivity
92.9067
Polarizability
37.18642
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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