Molecule

ID:62145

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClN₃O
Molecular Mass
229.70654
Exact Mass
229.09818983
Charge
0
InChI
InChI=1S/C10H15N3O.ClH/c1-2-10(13-12-3-1)6-9-7-11-4-5-14-8-9;/h1-3,9,11H,4-8H2;1H
InChIKey
OAJBMNMTQXBLNY-UHFFFAOYSA-N
Canonic Smiles
C1CNCC(CO1)Cc1cccnn1.Cl
Isomeric Smiles
n1ncccc1CC1CNCCOC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.7791362
LogD (pH = 7.4)
-2.628103
Log P
-0.6172494
Molar Refractivity
55.0283
Polarizability
21.006283
Polar Surface Area
47.04
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
No Data Available
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Molecule Details
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References
Bioactivity
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