Molecule

ID:47269

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)14-19(4,5)15-6-8-16(9-7-15)21-17-10-12-20-13-11-17;/h6-9,17,20H,10-14H2,1-5H3;1H
InChIKey
BHYBWQBDGQUDQZ-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)OC1CCNCC1)(CC(C)(C)C)C.Cl
Isomeric Smiles
C(c1ccc(OC2CCNCC2)cc1)(CC(C)(C)C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2731938
LogD (pH = 7.4)
2.1175125
Log P
4.4805927
Molar Refractivity
89.5692
Polarizability
35.711834
Polar Surface Area
21.26
Rotatable Bonds
5
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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