Molecule

ID:1885

General Information
Structure
Molecular Formula
C₁₀H₁₄O
Molecular Mass
150.21756
Exact Mass
150.10446507
Charge
0
InChI
InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/t6-,7+,8-,9+
InChIKey
IYKFYARMMIESOX-SPJNRGJMSA-N
Canonic Smiles
O=C1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
Isomeric Smiles
O=C1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2207532
LogD (pH = 7.4)
2.2207532
Log P
2.2207532
Molar Refractivity
42.8892
Polarizability
17.032516
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.09
LOG S
-2.65
Solubility (Water)
3.35e-01 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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