Molecule

ID:124504

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅ClN₂O₃
Molecular Mass
222.6693
Exact Mass
222.07712003
Charge
0
InChI
InChI=1S/C8H14N2O3.ClH/c1-8(2)7(13)9-3-4-10(8)5-6(11)12;/h3-5H2,1-2H3,(H,9,13)(H,11,12);1H
InChIKey
ASAFONVRXQQNOH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCNC(=O)C1(C)C.Cl
Isomeric Smiles
N1(C(C(=O)NCC1)(C)C)CC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.117631
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.5415268
LogD (pH = 7.4)
-3.5777037
Log P
-2.4914079
Molar Refractivity
46.1144
Polarizability
18.0676
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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