Molecule

ID:51818

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₅ClN₂O₂
Molecular Mass
372.8884
Exact Mass
372.16045573
Charge
0
InChI
InChI=1S/C21H24N2O2.ClH/c22-12-15-6-5-11-23(13-15)21(24)25-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20;/h1-4,7-10,15,20H,5-6,11-14,22H2;1H
InChIKey
FJXCUFDCDDVCDG-UHFFFAOYSA-N
Canonic Smiles
NCC1CCCN(C1)C(=O)OCC1c2ccccc2c2c1cccc2.Cl
Isomeric Smiles
C1(c2c(c3c1cccc3)cccc2)COC(=O)N1CC(CN)CCC1.Cl
Calculated Properties
JChem
Acid pKa
17.404562
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.073726684
LogD (pH = 7.4)
0.6395059
Log P
2.935581
Molar Refractivity
98.9963
Polarizability
39.85188
Polar Surface Area
55.56
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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