Molecule

ID:23983

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O₂
Molecular Mass
270.75516
Exact Mass
270.11350554
Charge
0
InChI
InChI=1S/C13H18N2O2.ClH/c1-14-4-6-15(7-5-14)9-12-8-11(10-16)2-3-13(12)17;/h2-3,8,10,17H,4-7,9H2,1H3;1H
InChIKey
PVWZMBMXVDSIPH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)CN1CCN(CC1)C)O.Cl
Isomeric Smiles
c1(CN2CCN(CC2)C)cc(ccc1O)C=O.Cl
Calculated Properties
JChem
Acid pKa
6.2347727
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.7225603
LogD (pH = 7.4)
-0.045636877
Log P
-0.028398152
Molar Refractivity
69.2157
Polarizability
26.193611
Polar Surface Area
43.78
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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