Molecule

ID:37657

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₃
Molecular Mass
213.27346
Exact Mass
213.13649347
Charge
0
InChI
InChI=1S/C11H19NO3/c1-11(2,3)10(15)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
CVIINYKWACEMEQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)N1CCC(CC1)C(=O)O
Isomeric Smiles
C(=O)(N1CCC(C(=O)O)CC1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
4.6527143
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3855896
LogD (pH = 7.4)
-1.3919953
Log P
1.2897109
Molar Refractivity
56.3436
Polarizability
22.019754
Polar Surface Area
57.61
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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