Molecule

ID:73028

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₉ClN₂O
Molecular Mass
324.88866
Exact Mass
324.19684124
Charge
0
InChI
InChI=1S/C18H28N2O.ClH/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H
InChIKey
SIEYLFHKZGLBNX-UHFFFAOYSA-N
Canonic Smiles
CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl
Isomeric Smiles
c1ccc(c(c1C)NC(=O)C1N(CCCC1)CCCC)C.Cl
Calculated Properties
JChem
LogD (pH = 7.4)
3.82
LogD (pH = 5.5)
2.05
Log P
4.52
Rotatable Bonds
5
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.00
Polar Surface Area
32.34
Polarizability
34.76
Molar Refractivity
90.19
LOG S
-3.80
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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