Molecule

ID:67507

General Information
Structure
MolImage
Molecular Formula
C₃H₉ClN₂O
Molecular Mass
124.56936
Exact Mass
124.0403406
Charge
0
InChI
InChI=1S/C3H8N2O.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H2,5,6);1H/t2-;/m1./s1
InChIKey
FIAINKIUSZGVGX-HSHFZTNMSA-N
Canonic Smiles
NC(=O)[C@H](N)C.Cl
Isomeric Smiles
C(=O)([C@@H](C)N)N.Cl
Calculated Properties
JChem
Acid pKa
16.469738
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.044142
LogD (pH = 7.4)
-2.4191263
Log P
-1.385654
Molar Refractivity
22.3195
Polarizability
9.0116005
Polar Surface Area
69.11
Rotatable Bonds
1
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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