Molecule

ID:21148

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅NO
Molecular Mass
247.3758
Exact Mass
247.19361443
Charge
0
InChI
InChI=1S/C16H25NO/c1-2-5-15(6-3-1)7-4-13-18-14-10-16-8-11-17-12-9-16/h1-3,5-6,16-17H,4,7-14H2
InChIKey
LSAORFPJNKAXIO-UHFFFAOYSA-N
Canonic Smiles
C(CCc1ccccc1)OCCC1CCNCC1
Isomeric Smiles
N1CCC(CCOCCCc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.17835945
LogD (pH = 7.4)
0.2780304
Log P
3.0532262
Molar Refractivity
76.6335
Polarizability
30.192587
Polar Surface Area
21.26
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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