Molecule

ID:16847

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O₂
Molecular Mass
190.62744
Exact Mass
190.05090528
Charge
0
InChI
InChI=1S/C7H10N2O2.ClH/c8-3-4-9-7(10)6-2-1-5-11-6;/h1-2,5H,3-4,8H2,(H,9,10);1H
InChIKey
WHZVFHAKDAVPNC-UHFFFAOYSA-N
Canonic Smiles
NCCNC(=O)c1ccco1.Cl
Isomeric Smiles
c1(C(=O)NCCN)ccco1.Cl
Calculated Properties
JChem
Acid pKa
14.012837
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.6309066
LogD (pH = 7.4)
-2.4369252
Log P
-0.689175
Molar Refractivity
40.3738
Polarizability
15.281483
Polar Surface Area
68.26
Rotatable Bonds
3
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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