Molecule

ID:51531

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO
Molecular Mass
161.20044
Exact Mass
161.08406398
Charge
0
InChI
InChI=1S/C10H11NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,11H,3,6-7H2
InChIKey
NKRKBYFBKLDCFB-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCNc2c1cccc2
Isomeric Smiles
c12C(=O)CCCNc1cccc2
Calculated Properties
JChem
Acid pKa
12.200011
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8806744
LogD (pH = 7.4)
1.8806679
Log P
1.8806745
Molar Refractivity
49.5499
Polarizability
18.157276
Polar Surface Area
29.1
Rotatable Bonds
0
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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