Molecule

ID:60205

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO
Molecular Mass
127.18422
Exact Mass
127.09971404
Charge
0
InChI
InChI=1S/C7H13NO/c1-6-4-2-3-5-7(6)8-9/h6,9H,2-5H2,1H3/b8-7-
InChIKey
MDIFHVYPHRHKLB-FPLPWBNLSA-N
Canonic Smiles
O/N=C\1/CCCCC1C
Isomeric Smiles
C\1(=N/O)/C(C)CCCC1
Calculated Properties
JChem
Acid pKa
11.966019
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0386198
LogD (pH = 7.4)
2.040623
Log P
2.0406604
Molar Refractivity
36.6436
Polarizability
14.31213
Polar Surface Area
32.59
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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