Molecule

ID:23548

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,10H2,1-2H3
InChIKey
MLNFMFAMNBGAQT-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)N)C
Isomeric Smiles
O(c1ccc(N)cc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6049064
LogD (pH = 7.4)
1.7576851
Log P
1.7600316
Molar Refractivity
46.389
Polarizability
17.673548
Polar Surface Area
35.25
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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