Molecule

ID:41351

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN₃O₂
Molecular Mass
255.70076
Exact Mass
255.07745438
Charge
0
InChI
InChI=1S/C11H14ClN3O2/c1-17-11(16)8-4-6-15(7-5-8)10-3-2-9(12)13-14-10/h2-3,8H,4-7H2,1H3
InChIKey
HPDABTZAYLFFDV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCN(CC1)c1ccc(nn1)Cl
Isomeric Smiles
N1(c2nnc(cc2)Cl)CCC(C(=O)OC)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5213404
LogD (pH = 7.4)
1.521529
Log P
1.5215313
Molar Refractivity
67.5236
Polarizability
24.63255
Polar Surface Area
55.32
Rotatable Bonds
3
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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