Molecule

ID:65675

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O
Molecular Mass
210.66014
Exact Mass
210.05599066
Charge
0
InChI
InChI=1S/C10H11ClN2O/c11-8-6-7-3-4-12-10(7)13-9(8)2-1-5-14/h3-4,6,14H,1-2,5H2,(H,12,13)
InChIKey
LPKSWWIWQJWZCZ-UHFFFAOYSA-N
Canonic Smiles
OCCCc1nc2[nH]ccc2cc1Cl
Isomeric Smiles
c1(c(nc2c(c1)cc[nH]2)CCCO)Cl
Calculated Properties
JChem
Acid pKa
15.178678
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6638916
LogD (pH = 7.4)
1.6656162
Log P
1.6656382
Molar Refractivity
55.4931
Polarizability
21.913158
Polar Surface Area
48.91
Rotatable Bonds
3
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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