Molecule

ID:83651

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁ClN₂O
Molecular Mass
328.83584
Exact Mass
328.13424098
Charge
0
InChI
InChI=1S/C19H21N2O.ClH/c1-16-4-6-17(7-5-16)19(22)10-15-20-13-8-18(9-14-20)21-11-2-3-12-21;/h4-10,13-15H,2-3,11-12H2,1H3;1H/q+1;/p-1
InChIKey
QQPMORKTLNOSBF-UHFFFAOYSA-M
Canonic Smiles
O=C(c1ccc(cc1)C)/C=C/[n+]1ccc(cc1)N1CCCC1.[Cl-]
Isomeric Smiles
[n+]1(ccc(cc1)N1CCCC1)/C=C/C(=O)c1ccc(cc1)C.[Cl-]
Calculated Properties
JChem
Acid pKa
12.958337
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.47548115
LogD (pH = 7.4)
-0.47548017
Log P
-0.47548044
Molar Refractivity
91.8922
Polarizability
34.2395
Polar Surface Area
24.19
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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