ChemDB: Chemical Search
Download
Chemical ID: 5165819
Chemical ID:
5165819
Name [?]:
None
SMILES [?]:
Cc1cc(=O)n2c3c1ccc(c3OC2)N
InChi [?]:
InChI=1/C11H10N2O2/c1-6-4-9(14)13-5-15-11-8(12)3-2-7(6)10(11)13/h2-4H,5,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,3,14,2,8,11,4,7,12,15,6,5,13/rA:15nCCCCONCCCCCCOCN/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;s6s13;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.21341 |
Area: | 346.41 |
Solvation: | -2.44683 |
Coulombic: | -41.2271 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 202.209 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.76 |
LogP (Chemaxon): | 1.8 |
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 |
---|