Molecule

ID:48685

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN₃
Molecular Mass
211.69126
Exact Mass
211.08762514
Charge
0
InChI
InChI=1S/C10H14ClN3/c1-13-5-7-14(8-6-13)10-4-2-3-9(11)12-10/h2-4H,5-8H2,1H3
InChIKey
OOMBBUZQJGYRRW-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1cccc(n1)Cl
Isomeric Smiles
n1c(N2CCN(CC2)C)cccc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.15224226
LogD (pH = 7.4)
1.7835728
Log P
2.1294162
Molar Refractivity
60.5594
Polarizability
22.50479
Polar Surface Area
19.37
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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