Molecule

ID:34654

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO
Molecular Mass
215.29088
Exact Mass
215.13101417
Charge
0
InChI
InChI=1S/C14H17NO/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKey
YQXUSXSQFVWPRQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1(CCCCC1)C#N
Isomeric Smiles
N#CC1(c2ccc(cc2)OC)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4802523
LogD (pH = 7.4)
3.4802523
Log P
3.4802523
Molar Refractivity
63.8844
Polarizability
24.850948
Polar Surface Area
33.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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