Molecule

ID:125919

General Information
Structure
MolImage
Molecular Formula
C₃₀H₄₂N₂O₂
Molecular Mass
462.66668
Exact Mass
462.32462859
Charge
0
InChI
InChI=1S/C30H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33)24-28(26)29/h6-7,9-10,12-13,15-16,20-21,24-25,32-33H,2-5,8,11,14,17-19,22-23H2,1H3,(H,31,34)
InChIKey
QJDNHGXNNRLIGA-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCc1c[nH]c2c1cc(O)cc2
Isomeric Smiles
O=C(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)NCCc1c[nH]c2c1cc(O)cc2
Calculated Properties
JChem
Acid pKa
9.556519
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
7.8121967
LogD (pH = 7.4)
7.8092356
Log P
7.8122354
Molar Refractivity
149.1079
Polarizability
56.99765
Polar Surface Area
65.12
Rotatable Bonds
17
Lipinski's Rule of Five
false
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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