Molecule

ID:48892

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁ClN₂O
Molecular Mass
304.81444
Exact Mass
304.13424098
Charge
0
InChI
InChI=1S/C17H20N2O.ClH/c1-19(13-15-10-6-3-7-11-15)17(20)16(18)12-14-8-4-2-5-9-14;/h2-11,16H,12-13,18H2,1H3;1H
InChIKey
GDCLCULAXXKJHO-UHFFFAOYSA-N
Canonic Smiles
O=C(N(Cc1ccccc1)C)C(Cc1ccccc1)N.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)C)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.050984617
LogD (pH = 7.4)
1.7449708
Log P
2.4424977
Molar Refractivity
81.3445
Polarizability
31.897238
Polar Surface Area
46.33
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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