Molecule

ID:73059

General Information
Structure
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Molecular Formula
C₂₀H₂₄ClN
Molecular Mass
313.86426
Exact Mass
313.15972745
Charge
0
InChI
InChI=1S/C20H23N.ClH/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20;/h2-5,7-10,15,21H,6,11-14H2,1H3;1H
InChIKey
NZDMFGKECODQRY-UHFFFAOYSA-N
Canonic Smiles
CNCCCC12CCC(c3c1cccc3)c1c2cccc1.Cl
Isomeric Smiles
c1ccc2c(c1)C1(c3c(C2CC1)cccc3)CCCNC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.1368963
LogD (pH = 7.4)
1.4832375
Log P
4.3721046
Molar Refractivity
99.3017
Polarizability
34.660324
Polar Surface Area
12.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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