Molecule

ID:48827

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClN₃O
Molecular Mass
311.85014
Exact Mass
311.17644015
Charge
0
InChI
InChI=1S/C16H25N3O.ClH/c1-13(2)15(17)16(20)19-10-8-18(9-11-19)12-14-6-4-3-5-7-14;/h3-7,13,15H,8-12,17H2,1-2H3;1H
InChIKey
RIGAJLCTNIRNFL-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N1CCN(CC1)Cc1ccccc1)C(C)C.Cl
Isomeric Smiles
C(=O)(N1CCN(Cc2ccccc2)CC1)C(N)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6906726
LogD (pH = 7.4)
0.24564812
Log P
1.5207862
Molar Refractivity
81.7712
Polarizability
32.285656
Polar Surface Area
49.57
Rotatable Bonds
4
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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