Molecule

ID:15143

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃ClN₂O₃
Molecular Mass
208.64272
Exact Mass
208.06146997
Charge
0
InChI
InChI=1S/C7H12N2O3.ClH/c1-9-3-2-8-7(12)5(9)4-6(10)11;/h5H,2-4H2,1H3,(H,8,12)(H,10,11);1H
InChIKey
FIRFKALJCAUQIL-UHFFFAOYSA-N
Canonic Smiles
CN1CCNC(=O)C1CC(=O)O.Cl
Isomeric Smiles
C1(C(=O)NCCN1C)CC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.415765
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.6811645
LogD (pH = 7.4)
-4.139313
Log P
-3.6788707
Molar Refractivity
41.3519
Polarizability
16.247286
Polar Surface Area
69.64
Rotatable Bonds
2
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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