Molecule

ID:25193

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-9-8-13(2,3)14-12-10(9)6-5-7-11(12)15-4/h5-7,9,14H,8H2,1-4H3
InChIKey
VRGWTUYPGVAHGX-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1NC(C)(C)CC2C
Isomeric Smiles
c12NC(CC(c1cccc2OC)C)(C)C
Calculated Properties
JChem
Acid pKa
19.255152
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5998337
LogD (pH = 7.4)
2.7546005
Log P
2.7569807
Molar Refractivity
64.2312
Polarizability
24.238964
Polar Surface Area
21.26
Rotatable Bonds
1
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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