Molecule

ID:128684

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₅NO₂
Molecular Mass
381.5509
Exact Mass
381.26677937
Charge
0
InChI
InChI=1S/C25H35NO2/c1-17-10-11-20-19(14-17)23-21(27)15-18(16-22(23)28-25(20,4)5)24(2,3)12-8-6-7-9-13-26/h10,15-16,19-20,27H,6-9,11-12,14H2,1-5H3/t19-,20-/m1/s1
InChIKey
RVTLXKSJDYALPU-WOJBJXKFSA-N
Canonic Smiles
N#CCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C)(C)C)(C)C
Isomeric Smiles
N#CCCCCCC(c1cc2OC([C@@H]3CC=C(C[C@H]3c2c(O)c1)C)(C)C)(C)C
Calculated Properties
JChem
Acid pKa
9.984322
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.1580534
LogD (pH = 7.4)
6.1569448
Log P
6.1580677
Molar Refractivity
115.6039
Polarizability
44.59789
Polar Surface Area
53.25
Rotatable Bonds
6
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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