Molecule

ID:1316

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₂N₂O₂
Molecular Mass
392.53378
Exact Mass
392.24637827
Charge
0
InChI
InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3
InChIKey
INUNXTSAACVKJS-UHFFFAOYSA-N
Canonic Smiles
CC(C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)CN1CCOCC1
Isomeric Smiles
O=C(N1CCCC1)C(C(CN1CCOCC1)C)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5076978
LogD (pH = 7.4)
3.2307322
Log P
3.7531147
Molar Refractivity
117.3748
Polarizability
45.848522
Polar Surface Area
32.78
Rotatable Bonds
6
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.18
LOG S
-4.35
Solubility (Water)
1.75e-02 g/l
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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