Molecule

ID:67419

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅NO
Molecular Mass
211.3437
Exact Mass
211.19361443
Charge
0
InChI
InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)
InChIKey
VUNOFAIHSALQQH-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)C1CC(C)CCC1C(C)C
Isomeric Smiles
C1(C(CCC(C1)C)C(C)C)C(=O)NCC
Calculated Properties
JChem
Acid pKa
16.453943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9693227
LogD (pH = 7.4)
2.9693239
Log P
2.9693239
Molar Refractivity
63.5602
Polarizability
25.156832
Polar Surface Area
29.1
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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