Molecule

ID:48899

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅ClN₂O₂
Molecular Mass
312.8349
Exact Mass
312.16045573
Charge
0
InChI
InChI=1S/C16H24N2O2.ClH/c1-18(12-14-7-9-20-10-8-14)16(19)15(17)11-13-5-3-2-4-6-13;/h2-6,14-15H,7-12,17H2,1H3;1H
InChIKey
VADYOOBHRZMRQH-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cc1ccccc1)N)N(CC1CCOCC1)C.Cl
Isomeric Smiles
C(=O)(N(CC1CCOCC1)C)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2519748
LogD (pH = 7.4)
0.4420017
Log P
1.1398114
Molar Refractivity
80.0254
Polarizability
31.441395
Polar Surface Area
55.56
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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