Molecule

ID:129111

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₁NO₂
Molecular Mass
353.49774
Exact Mass
353.23547924
Charge
0
InChI
InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3
InChIKey
SNTQPLDRUZOSDP-UHFFFAOYSA-N
Canonic Smiles
CCCC(c1ccccc1)(c1ccccc1)C(=O)OCCN(CC)CC
Isomeric Smiles
O=C(OCCN(CC)CC)C(c1ccccc1)(c1ccccc1)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4307017
LogD (pH = 7.4)
4.042275
Log P
5.6110907
Molar Refractivity
107.903
Polarizability
42.511787
Polar Surface Area
29.54
Rotatable Bonds
11
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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