Molecule

ID:46201

General Information
Structure
Molecular Formula
C₁₆H₂₅Cl₂NO
Molecular Mass
318.2818
Exact Mass
317.13131979
Charge
0
InChI
InChI=1S/C16H24ClNO.ClH/c1-12(2)13-6-7-16(15(17)11-13)19-10-8-14-5-3-4-9-18-14;/h6-7,11-12,14,18H,3-5,8-10H2,1-2H3;1H
InChIKey
XCYYGKHRTOKCEM-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1OCCC1CCCCN1)C(C)C.Cl
Isomeric Smiles
c1(cc(ccc1OCCC1NCCCC1)C(C)C)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0447832
LogD (pH = 7.4)
1.637686
Log P
4.270318
Molar Refractivity
80.9188
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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