Molecule

ID:1287

General Information
Structure
Molecular Formula
C₂₄H₃₁NO
Molecular Mass
349.50904
Exact Mass
349.24056462
Charge
0
InChI
InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3
InChIKey
SVDHSZFEQYXRDC-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N1CCCCC1)C
Isomeric Smiles
O=C(C(CC(N1CCCCC1)C)(c1ccccc1)c1ccccc1)CC
Calculated Properties
JChem
Acid pKa
18.773632
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5340672
LogD (pH = 7.4)
3.9659796
Log P
5.8575377
Molar Refractivity
109.4109
Polarizability
42.967606
Polar Surface Area
20.31
Rotatable Bonds
7
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
5.28
LOG S
-5.66
Solubility (Water)
7.57e-04 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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