Molecule

ID:46901

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₂ClNO
Molecular Mass
325.91648
Exact Mass
325.21724233
Charge
0
InChI
InChI=1S/C19H31NO.ClH/c1-18(2,3)14-9-10-17(16(12-14)19(4,5)6)21-15-8-7-11-20-13-15;/h9-10,12,15,20H,7-8,11,13H2,1-6H3;1H
InChIKey
KHADKVNXDKBALK-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc(ccc1OC1CCCNC1)C(C)(C)C)(C)C.Cl
Isomeric Smiles
c1(c(OC2CNCCC2)ccc(c1)C(C)(C)C)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8364992
LogD (pH = 7.4)
2.9449143
Log P
5.0068483
Molar Refractivity
89.7886
Polarizability
35.63022
Polar Surface Area
21.26
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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