Molecule

ID:125766

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₄N₂O
Molecular Mass
390.56096
Exact Mass
390.26711372
Charge
0
InChI
InChI=1S/C26H34N2O/c1-27-9-5-4-6-21(27)16-28-17-23(22-7-2-3-8-24(22)28)25(29)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-3,7-8,17-21H,4-6,9-16H2,1H3
InChIKey
JRECAXBHMULNJQ-UHFFFAOYSA-N
Canonic Smiles
CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)C12CC3CC(C1)CC(C3)C2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4007657
LogD (pH = 7.4)
4.1219015
Log P
5.385231
Molar Refractivity
118.0199
Polarizability
47.33483
Polar Surface Area
25.24
Rotatable Bonds
4
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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