Molecule

ID:48914

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClN₃O
Molecular Mass
309.83426
Exact Mass
309.16079008
Charge
0
InChI
InChI=1S/C16H23N3O.ClH/c20-16(15-7-4-8-17-15)19-11-9-18(10-12-19)13-14-5-2-1-3-6-14;/h1-3,5-6,15,17H,4,7-13H2;1H
InChIKey
SFXWRPXDGLUASN-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)Cc1ccccc1)C1CCCN1.Cl
Isomeric Smiles
C(=O)(N1CCN(Cc2ccccc2)CC1)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.312868
LogD (pH = 7.4)
-1.3219674
Log P
1.1148608
Molar Refractivity
80.3426
Polarizability
31.55145
Polar Surface Area
35.58
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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