Molecule

ID:68335

General Information
Structure
MolImage
Molecular Formula
C₃H₉ClN₂O₂
Molecular Mass
140.56876
Exact Mass
140.03525522
Charge
0
InChI
InChI=1S/C3H8N2O2.ClH/c4-1-2(5)3(6)7;/h2H,1,4-5H2,(H,6,7);1H/t2-;/m1./s1
InChIKey
SKWCZPYWFRTSDD-HSHFZTNMSA-N
Canonic Smiles
N[C@@H](C(=O)O)CN.Cl
Isomeric Smiles
C(=O)([C@@H](CN)N)O.Cl
Calculated Properties
JChem
Acid pKa
2.1010375
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-5.112607
LogD (pH = 7.4)
-4.0595517
Log P
-4.0216513
Molar Refractivity
23.6985
Polarizability
9.885121
Polar Surface Area
89.34
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
No Data Available
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Molecule Details
References
Bioactivity
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