Molecule

ID:37815

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClN₃O
Molecular Mass
297.82356
Exact Mass
297.16079008
Charge
0
InChI
InChI=1S/C15H23N3O.ClH/c1-12-3-2-4-14(11-12)17-15(19)18-9-6-13(5-8-16)7-10-18;/h2-4,11,13H,5-10,16H2,1H3,(H,17,19);1H
InChIKey
ROEJXAGLRDGXSM-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCN(CC1)C(=O)Nc1cccc(c1)C.Cl
Isomeric Smiles
C1CN(CCC1CCN)C(=O)Nc1cccc(c1)C.Cl
Calculated Properties
JChem
Acid pKa
13.430591
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1472374
LogD (pH = 7.4)
-0.72244966
Log P
1.8765776
Molar Refractivity
79.3101
Polarizability
29.956108
Polar Surface Area
58.36
Rotatable Bonds
3
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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