Molecule

ID:58901

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO
Molecular Mass
163.21632
Exact Mass
163.09971404
Charge
0
InChI
InChI=1S/C10H13NO/c1-12-10-3-2-7-4-9(11)5-8(7)6-10/h2-3,6,9H,4-5,11H2,1H3
InChIKey
HLXHCNWEVQNNKA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)CC(C2)N
Isomeric Smiles
c12c(CC(C1)N)ccc(c2)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6879632
LogD (pH = 7.4)
-1.1149107
Log P
1.3296598
Molar Refractivity
48.7294
Polarizability
19.01699
Polar Surface Area
35.25
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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