Molecule

ID:63595

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO
Molecular Mass
127.18422
Exact Mass
127.09971404
Charge
0
InChI
InChI=1S/C7H13NO/c9-7-3-5-1-2-6(4-7)8-5/h5-9H,1-4H2/t5-,6+,7+
InChIKey
YYMCYJLIYNNOMK-ZMONIFLSSA-N
Canonic Smiles
O[C@@H]1C[C@@H]2CC[C@H](C1)N2
Isomeric Smiles
[C@@H]12CC[C@@H](N1)C[C@H](O)C2
Calculated Properties
JChem
Acid pKa
15.161619
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.5869532
LogD (pH = 7.4)
-3.3273478
Log P
-0.34948727
Molar Refractivity
35.2991
Polarizability
14.310322
Polar Surface Area
32.26
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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