Molecule

ID:125559

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₇NO₂
Molecular Mass
395.57748
Exact Mass
395.28242943
Charge
0
InChI
InChI=1S/C26H37NO2/c1-7-9-10-11-13-25(3,4)19-16-22(28)24-20-18-27(14-8-2)15-12-21(20)26(5,6)29-23(24)17-19/h2,16-17,28H,7,9-15,18H2,1,3-6H3
InChIKey
OHJTZQQBYDAYHW-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(c1cc(O)c2c(c1)OC(C1=C2CN(CC#C)CC1)(C)C)(C)C
Isomeric Smiles
c1c(C(C)(C)CCCCCC)cc(O)c2c1OC(C)(C)C1=C2CN(CC1)CC#C
Calculated Properties
JChem
Acid pKa
6.4453506
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.56423
LogD (pH = 7.4)
5.5052214
Log P
6.063485
Molar Refractivity
122.0173
Polarizability
47.197765
Polar Surface Area
32.7
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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