Molecule

ID:79641

General Information
Structure
Molecular Formula
C₁₈H₂₀O
Molecular Mass
252.3508
Exact Mass
252.15141526
Charge
0
InChI
InChI=1S/C18H20O/c1-2-3-4-5-13-6-8-17-14(10-13)11-15-12-16(19)7-9-18(15)17/h6-10,12,19H,2-5,11H2,1H3
InChIKey
KVLMFEDZEZXVBC-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc2c(c1)Cc1c2ccc(c1)O
Isomeric Smiles
Oc1cc2c(cc1)c1c(cc(cc1)CCCCC)C2
Calculated Properties
JChem
Acid pKa
9.945
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.7271347
LogD (pH = 7.4)
5.725921
Log P
5.72715
Molar Refractivity
80.2995
Polarizability
32.166466
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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