Molecule

ID:125414

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅NO
Molecular Mass
259.3865
Exact Mass
259.19361443
Charge
0
InChI
InChI=1S/C17H25NO/c1-3-4-7-16(18-12-5-6-13-18)17(19)15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3
InChIKey
YOSQVMGMENUCDX-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(=O)c1ccc(cc1)C)N1CCCC1
Isomeric Smiles
c1cc(C)ccc1C(=O)C(CCCC)N1CCCC1
Calculated Properties
JChem
Acid pKa
18.013575
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9199241
LogD (pH = 7.4)
3.6752505
Log P
4.322035
Molar Refractivity
80.6919
Polarizability
31.389168
Polar Surface Area
20.31
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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