Molecule

ID:67151

General Information
Structure
Molecular Formula
C₁₁H₁₄ClN₃O₂
Molecular Mass
255.70076
Exact Mass
255.07745438
Charge
0
InChI
InChI=1S/C11H14ClN3O2/c1-17-10(16)8-3-6-15(7-4-8)9-2-5-13-11(12)14-9/h2,5,8H,3-4,6-7H2,1H3
InChIKey
RANXPSAMFSXQAL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCN(CC1)c1ccnc(n1)Cl
Isomeric Smiles
N1(CCC(CC1)C(=O)OC)c1nc(ncc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8792982
LogD (pH = 7.4)
1.8797857
Log P
1.8797919
Molar Refractivity
66.114
Polarizability
24.68161
Polar Surface Area
55.32
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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