Molecule

ID:30524

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O₂
Molecular Mass
190.62744
Exact Mass
190.05090528
Charge
0
InChI
InChI=1S/C7H10N2O2.ClH/c10-7(11)2-1-4-9-5-3-8-6-9;/h3,5-6H,1-2,4H2,(H,10,11);1H
InChIKey
ZALJECPKFNYKDH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCn1cncc1.Cl
Isomeric Smiles
n1cn(cc1)CCCC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
4.202189
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.73822856
LogD (pH = 7.4)
-1.4323075
Log P
-0.6990338
Molar Refractivity
39.4485
Polarizability
15.070302
Polar Surface Area
55.12
Rotatable Bonds
4
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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