Molecule

ID:106960

General Information
Structure
Molecular Formula
C₁₆H₁₈ClN₃
Molecular Mass
287.78722
Exact Mass
287.11892527
Charge
0
InChI
InChI=1S/C16H17N3.ClH/c1-9-4-11-6-12-5-10(2)14(18)8-16(12)19(3)15(11)7-13(9)17;/h4-8H,1-3H3,(H3,17,18);1H
InChIKey
ADAOOVVYDLASGJ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2c(cc1C)cc1c([n+]2C)cc(c(c1)C)N.[Cl-]
Isomeric Smiles
[Cl-].Cc1cc2cc3cc(C)c(N)cc3[n+](C)c2cc1N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7813686
LogD (pH = 7.4)
-1.7810524
Log P
-1.7810483
Molar Refractivity
82.1951
Polarizability
32.417942
Polar Surface Area
55.92
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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