Molecule

ID:92761

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO
Molecular Mass
167.24808
Exact Mass
167.13101417
Charge
0
InChI
InChI=1S/C10H17NO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6,11H2/t7?,8?,9-,10-
InChIKey
DWPIPTNBOVJYAD-CYBICODVSA-N
Canonic Smiles
N[C@]12C[C@H]3C[C@@H](C1)C[C@@](C2)(C3)O
Isomeric Smiles
O[C@]12C[C@@H]3C[C@H](C1)C[C@](C3)(C2)N
Calculated Properties
JChem
Acid pKa
14.705673
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.9483817
LogD (pH = 7.4)
-2.6029768
Log P
0.07794632
Molar Refractivity
47.1741
Polarizability
19.106407
Polar Surface Area
46.25
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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