Molecule

ID:73309

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClN₃O₂
Molecular Mass
297.7805
Exact Mass
297.12440458
Charge
0
InChI
InChI=1S/C14H19N3O2.ClH/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19;/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19);1H/t11-,13-;/m1./s1
InChIKey
GIEFXLLRTJNFGT-LOCPCMAASA-N
Canonic Smiles
CC(N[C@@H]1CCn2c3c([C@H]1O)cccc3[nH]c2=O)C.Cl
Isomeric Smiles
n12c3c([C@H]([C@@H](CC1)NC(C)C)O)cccc3[nH]c2=O.Cl
Calculated Properties
JChem
Acid pKa
12.800967
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-2.2551355
LogD (pH = 7.4)
-0.8915082
Log P
0.8400075
Molar Refractivity
74.0552
Polarizability
28.06515
Polar Surface Area
64.6
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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