Molecule

ID:55513

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O
Molecular Mass
174.62804
Exact Mass
174.05599066
Charge
0
InChI
InChI=1S/C7H10N2O.ClH/c1-2-6(8-4-1)7-3-5-10-9-7;/h3,5-6,8H,1-2,4H2;1H
InChIKey
JEYXPTZFPMHYOJ-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)c1nocc1.Cl
Isomeric Smiles
C1(CCCN1)c1nocc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3940096
LogD (pH = 7.4)
-0.8575202
Log P
0.5953657
Molar Refractivity
37.5121
Polarizability
14.4789915
Polar Surface Area
38.06
Rotatable Bonds
1
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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