Molecule

ID:19908

General Information
Structure
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-3-12-6-4-5-7-14(12)17-15-10-11(2)8-9-13(15)16/h4-10H,3,16H2,1-2H3
InChIKey
ORSWIYWDTNVRIB-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1Oc1cc(C)ccc1N
Isomeric Smiles
c1(Oc2c(CC)cccc2)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.1113267
LogD (pH = 7.4)
4.115959
Log P
4.1160183
Molar Refractivity
71.6826
Polarizability
27.202612
Polar Surface Area
35.25
Rotatable Bonds
3
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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