Molecule

ID:18907

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O
Molecular Mass
174.62804
Exact Mass
174.05599066
Charge
0
InChI
InChI=1S/C7H10N2O.ClH/c1-10-7-4-2-6(9-8)3-5-7;/h2-5,9H,8H2,1H3;1H
InChIKey
FQHCPFMTXFJZJS-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)OC.Cl
Isomeric Smiles
c1c(ccc(c1)NN)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.98453844
LogD (pH = 7.4)
1.2035685
Log P
1.2072172
Molar Refractivity
42.2279
Polarizability
15.405477
Polar Surface Area
47.28
Rotatable Bonds
2
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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