Molecule
ID:121416
General Information
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-4-7-13-9-10-8-11(14-2)5-6-12(10)15-3/h4-6,8,13H,1,7,9H2,2-3H3
InChIKey
ZEPMUDBSVAADKW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CNCC=C)OC
Isomeric Smiles
c1(c(ccc(c1)OC)OC)CNCC=C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7181338
LogD (pH = 7.4)
0.9992642
Log P
1.9475019
Molar Refractivity
61.3951
Polarizability
24.015684
Polar Surface Area
30.49
Rotatable Bonds
6
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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