Molecule

ID:92483

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO
Molecular Mass
161.20044
Exact Mass
161.08406398
Charge
0
InChI
InChI=1S/C10H11NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5-6,11H2
InChIKey
NEHYFMQXSNIAMZ-UHFFFAOYSA-N
Canonic Smiles
NCCc1coc2c1cccc2
Isomeric Smiles
o1cc(c2c1cccc2)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.4510189
LogD (pH = 7.4)
-0.60068774
Log P
1.5467988
Molar Refractivity
48.1275
Polarizability
19.890474
Polar Surface Area
39.16
Rotatable Bonds
2
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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