Molecule

ID:24374

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO₂
Molecular Mass
145.1995
Exact Mass
145.11027873
Charge
0
InChI
InChI=1S/C7H15NO2/c1-6(2)8-5-4-7(9)10-3/h6,8H,4-5H2,1-3H3
InChIKey
CDMLINZNKOVCCN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCNC(C)C
Isomeric Smiles
C(=O)(CCNC(C)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7594304
LogD (pH = 7.4)
-1.8527708
Log P
0.4413946
Molar Refractivity
39.4139
Polarizability
15.9186325
Polar Surface Area
38.33
Rotatable Bonds
5
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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