ChemDB: Chemical Search
Download
Chemical ID: 4910365
Chemical ID:
4910365
Name [?]:
None
SMILES [?]:
CN1c2ccc(cc2-c3n[nH]c(=O)c(=O)n3CC1=O)Cl
InChi [?]:
InChI=1/C12H9ClN4O3/c1-16-8-3-2-6(13)4-7(8)10-14-15-11(19)12(20)17(10)5-9(16)18/h2-4H,5H2,1H3,(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,5,4,7,17,6,8,3,18,9,12,14,20,10,11,2,16,19,13,15/rA:20nCNCCCCCCCNNCOCONCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s11;d12;s12;d14;s9s14;s16;s2s17;d18;s6;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9ClN4O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86128 |
Area: | 437.56 |
Solvation: | -3.07772 |
Coulombic: | -55.7977 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 292.678 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.95 |
LogP (Chemaxon): | 0.23 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|