Molecule

ID:125413

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO
Molecular Mass
231.33334
Exact Mass
231.1623143
Charge
0
InChI
InChI=1S/C15H21NO/c1-3-14(16-10-4-5-11-16)15(17)13-8-6-12(2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3
InChIKey
NXNPGAAZKYDOPW-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)c1ccc(cc1)C)N1CCCC1
Isomeric Smiles
C1CCCN1C(CC)C(=O)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
18.19682
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1833818
LogD (pH = 7.4)
2.907459
Log P
3.4328973
Molar Refractivity
71.4899
Polarizability
27.697012
Polar Surface Area
20.31
Rotatable Bonds
4
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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