Molecule

ID:46689

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁Cl₂NO
Molecular Mass
326.26074
Exact Mass
325.10001966
Charge
0
InChI
InChI=1S/C17H20ClNO.ClH/c18-16-8-9-17(15-7-2-1-6-14(15)16)20-12-10-13-5-3-4-11-19-13;/h1-2,6-9,13,19H,3-5,10-12H2;1H
InChIKey
RLNURGSSFYPOBT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c2c1cccc2)OCCC1CCCCN1.Cl
Isomeric Smiles
c12c(c(ccc1Cl)OCCC1NCCCC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7892508
LogD (pH = 7.4)
1.3821534
Log P
4.0147853
Molar Refractivity
83.1782
Polarizability
34.099857
Polar Surface Area
21.26
Rotatable Bonds
4
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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