Molecule

ID:125570

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₁NO
Molecular Mass
349.50904
Exact Mass
349.24056462
Charge
0
InChI
InChI=1S/C24H31NO/c1-2-3-6-9-25-16-21(20-7-4-5-8-22(20)25)23(26)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3
InChIKey
SHWDYCMMUPPWQM-UHFFFAOYSA-N
Canonic Smiles
CCCCCn1cc(c2c1cccc2)C(=O)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
CCCCCn1cc(c2c1cccc2)C(=O)C12CC3CC(C1)CC(C3)C2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.224921
LogD (pH = 7.4)
6.224921
Log P
6.224921
Molar Refractivity
106.6632
Polarizability
42.863857
Polar Surface Area
22.0
Rotatable Bonds
6
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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