Molecule

ID:46154

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)15-7-8-17(16(11-15)19(4,5)6)21-13-14-9-10-20-12-14;/h7-8,11,14,20H,9-10,12-13H2,1-6H3;1H
InChIKey
HWBZWXJRLMQFMP-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc(ccc1OCC1CNCC1)C(C)(C)C)(C)C.Cl
Isomeric Smiles
c1(cc(C(C)(C)C)ccc1OCC1CNCC1)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.367461
LogD (pH = 7.4)
1.526071
Log P
4.607034
Molar Refractivity
90.1276
Polarizability
35.630432
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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