Molecule

ID:20334

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-12-11-14(16)7-8-15(12)17-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,16H2,1H3
InChIKey
SPVVUGFCIDRSGK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)OCCc1ccccc1
Isomeric Smiles
c1(c(ccc(c1)N)OCCc1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2941816
LogD (pH = 7.4)
3.50962
Log P
3.5132043
Molar Refractivity
71.6304
Polarizability
27.142857
Polar Surface Area
35.25
Rotatable Bonds
4
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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