Molecule
ID:19220
General Information
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-15-12-6-4-11(5-7-12)13(10-14)8-2-3-9-13/h4-7H,2-3,8-10,14H2,1H3
InChIKey
WSNHLIUOCLAAMP-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCC1)c1ccc(cc1)OC
Isomeric Smiles
C1(c2ccc(cc2)OC)(CN)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.59019786
LogD (pH = 7.4)
0.34344953
Log P
2.3983893
Molar Refractivity
62.0191
Polarizability
24.633234
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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