Molecule
ID:35822
General Information
Molecular Formula
C₁₀H₁₇NO
Molecular Mass
167.24808
Exact Mass
167.13101417
Charge
0
InChI
InChI=1S/C10H17NO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-9,12H,1-5,11H2
InChIKey
IQZMKGCMSXOILZ-UHFFFAOYSA-N
Canonic Smiles
OC1C2CC3CC1CC(C2)(C3)N
Isomeric Smiles
C12CC3(CC(C1)C(C(C2)C3)O)N
Calculated Properties
JChem
Acid pKa
14.688583
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.7922068
LogD (pH = 7.4)
-2.48368
Log P
0.23513648
Molar Refractivity
47.0511
Polarizability
19.106407
Polar Surface Area
46.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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