Molecule

ID:21093

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O
Molecular Mass
214.6919
Exact Mass
214.08729079
Charge
0
InChI
InChI=1S/C10H14N2O.ClH/c1-8-2-3-9(7-12-8)13-10-4-5-11-6-10;/h2-3,7,10-11H,4-6H2,1H3;1H
InChIKey
NBKIWQXYEHSCEM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cn1)OC1CNCC1.Cl
Isomeric Smiles
n1c(ccc(OC2CCNC2)c1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1022174
LogD (pH = 7.4)
-2.4121168
Log P
0.31307074
Molar Refractivity
50.2468
Polarizability
20.033705
Polar Surface Area
34.15
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
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Molecule Details
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References
Bioactivity
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