Molecule

ID:16850

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c1-7(2)9-5-3-4-8(9)6-10/h3-7H,1-2H3
InChIKey
UOQYIUGOKYHBSM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1C(C)C
Isomeric Smiles
c1(n(ccc1)C(C)C)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6826924
LogD (pH = 7.4)
1.6826924
Log P
1.6826924
Molar Refractivity
41.3424
Polarizability
15.375001
Polar Surface Area
22.0
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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