Molecule

ID:1288

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂O
Molecular Mass
288.46748
Exact Mass
288.24531564
Charge
0
InChI
InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
InChIKey
AOXRBFRFYPMWLR-XGXHKTLJSA-N
Canonic Smiles
CC[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CCCC[C@H]12
Isomeric Smiles
O[C@@]1([C@@]2([C@H]([C@H]3[C@H](CC2)[C@@H]2C(=CCCC2)CC3)CC1)C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.6879473
LogD (pH = 7.4)
4.6879478
Log P
4.6879478
Molar Refractivity
88.4988
Polarizability
35.055073
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
5.2
LOG S
-5.53
Solubility (Water)
8.60e-04 g/l
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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