Molecule

ID:46199

General Information
Structure
Molecular Formula
C₁₆H₂₅Cl₂NO
Molecular Mass
318.2818
Exact Mass
317.13131979
Charge
0
InChI
InChI=1S/C16H24ClNO.ClH/c1-12(2)14-3-4-16(15(17)11-14)19-10-7-13-5-8-18-9-6-13;/h3-4,11-13,18H,5-10H2,1-2H3;1H
InChIKey
UEJOJSTZEXUYAY-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1OCCC1CCNCC1)C(C)C.Cl
Isomeric Smiles
c1(cc(ccc1OCCC1CCNCC1)C(C)C)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9040165
LogD (pH = 7.4)
1.3604065
Log P
4.1356025
Molar Refractivity
81.1692
Polarizability
32.022644
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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