Molecule

ID:135100

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅ClN₂O₂
Molecular Mass
184.63456374
Exact Mass
184.08259514
Charge
0
InChI
InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i4+1,7+1;
InChIKey
BVHLGVCQOALMSV-XYHPNNNYSA-N
Canonic Smiles
[15NH2][13CH2]CCC[C@@H](C(=O)O)N.Cl
Isomeric Smiles
C(C[13CH2][15NH2])C[C@@H](C(=O)O)N.Cl
Calculated Properties
JChem
Acid pKa
2.7382863
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-5.9555907
LogD (pH = 7.4)
-4.978252
Log P
-3.2145348
Molar Refractivity
37.8095
Polarizability
15.365045
Polar Surface Area
89.34
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation