Molecule

ID:104789

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₄
Molecular Mass
211.64336
Exact Mass
211.06113561
Charge
0
InChI
InChI=1S/C7H13NO4.ClH/c1-11-6(9)4-3-5(8)7(10)12-2;/h5H,3-4,8H2,1-2H3;1H/t5-;/m0./s1
InChIKey
MFUPLHQOVIUESQ-JEDNCBNOSA-N
Canonic Smiles
COC(=O)CC[C@@H](C(=O)OC)N.Cl
Isomeric Smiles
Cl.COC(=O)CC[C@H](N)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4987535
LogD (pH = 7.4)
-0.9321565
Log P
-0.6400739
Molar Refractivity
40.8259
Polarizability
16.775362
Polar Surface Area
78.62
Rotatable Bonds
6
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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