Molecule

ID:20898

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-2-8-14-12(5-1)6-3-9-15(14)17-13-7-4-10-16-11-13/h1-3,5-6,8-9,13,16H,4,7,10-11H2
InChIKey
ZKHVEMXTPDLCNY-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)Oc1cccc2c1cccc2
Isomeric Smiles
c1(c2c(ccc1)cccc2)OC1CNCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2591213
LogD (pH = 7.4)
0.87394273
Log P
2.9062123
Molar Refractivity
68.907
Polarizability
28.617594
Polar Surface Area
21.26
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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