Molecule

ID:55804

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅ClN₂O₂
Molecular Mass
324.8456
Exact Mass
324.16045573
Charge
0
InChI
InChI=1S/C17H24N2O2.ClH/c20-17(19-11-1-2-12-19)15-3-5-16(6-4-15)21-13-14-7-9-18-10-8-14;/h3-6,14,18H,1-2,7-13H2;1H
InChIKey
MYYKGWQGFJAPEK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)OCC1CCNCC1)N1CCCC1.Cl
Isomeric Smiles
C1NCCC(C1)COc1ccc(cc1)C(=O)N1CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6076982
LogD (pH = 7.4)
-1.1469268
Log P
1.6237234
Molar Refractivity
83.9084
Polarizability
32.31783
Polar Surface Area
41.57
Rotatable Bonds
4
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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