Molecule

ID:62189

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃Cl₂N₃O
Molecular Mass
320.25792
Exact Mass
319.12181773
Charge
0
InChI
InChI=1S/C14H21N3O.2ClH/c1-16-7-10-4-3-5-11(6-10)12-8-17(2)9-13(12)14(15)18;;/h3-6,12-13,16H,7-9H2,1-2H3,(H2,15,18);2*1H/t12-,13+;;/m0../s1
InChIKey
LXKXBVDQBYGQPC-CQSOCPNPSA-N
Canonic Smiles
CNCc1cccc(c1)[C@@H]1CN(C[C@H]1C(=O)N)C.Cl.Cl
Isomeric Smiles
[C@@H]1([C@H](c2cc(CNC)ccc2)CN(C1)C)C(=O)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
16.570898
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.240547
LogD (pH = 7.4)
-3.7555647
Log P
0.22480193
Molar Refractivity
73.2518
Polarizability
28.592934
Polar Surface Area
58.36
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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