Molecule

ID:82934

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO
Molecular Mass
161.20044
Exact Mass
161.08406398
Charge
0
InChI
InChI=1S/C10H11NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,12H,3,5,7H2
InChIKey
YFDVQUUMKXZPLK-UHFFFAOYSA-N
Canonic Smiles
O/N=C/1\CCCc2c1cccc2
Isomeric Smiles
N(=C\1/c2ccccc2CCC1)\O
Calculated Properties
JChem
Acid pKa
8.90846
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2894933
LogD (pH = 7.4)
2.277385
Log P
2.2906044
Molar Refractivity
48.1484
Polarizability
18.29432
Polar Surface Area
32.59
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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