Molecule

ID:46727

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈ClNO
Molecular Mass
297.86332
Exact Mass
297.1859422
Charge
0
InChI
InChI=1S/C17H27NO.ClH/c1-13(2)17-5-4-16(12-14(17)3)19-11-8-15-6-9-18-10-7-15;/h4-5,12-13,15,18H,6-11H2,1-3H3;1H
InChIKey
KFAMLFBOILCZPW-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1C)OCCC1CCNCC1)C.Cl
Isomeric Smiles
c1(c(cc(cc1)OCCC1CCNCC1)C)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.81339324
LogD (pH = 7.4)
1.2697831
Log P
4.044979
Molar Refractivity
81.4056
Polarizability
31.940115
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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