Molecule

ID:101418

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O₂
Molecular Mass
270.75516
Exact Mass
270.11350554
Charge
0
InChI
InChI=1S/C13H18N2O2.ClH/c1-14-7-2-8-15(10-9-14)12-5-3-11(4-6-12)13(16)17;/h3-6H,2,7-10H2,1H3,(H,16,17);1H
InChIKey
KJZVHMAKWMCIBB-UHFFFAOYSA-N
Canonic Smiles
CN1CCCN(CC1)c1ccc(cc1)C(=O)O.Cl
Isomeric Smiles
N1(c2ccc(C(=O)O)cc2)CCN(CCC1)C.Cl
Calculated Properties
JChem
Acid pKa
4.494953
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.105372
LogD (pH = 7.4)
-1.0822304
Log P
-1.0766451
Molar Refractivity
68.6583
Polarizability
25.636532
Polar Surface Area
43.78
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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