ChemDB: Chemical Search
Download
Chemical ID: 4664735
Chemical ID:
4664735
Name [?]:
None
SMILES [?]:
CN1C(=O)c2cccc3c2c(ccc3)C1=O
InChi [?]:
InChI=1/C13H9NO2/c1-14-12(15)9-6-2-4-8-5-3-7-10(11(8)9)13(14)16/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,13,8,14,6,12,9,5,11,10,3,15,2,4,16/E:(2,3)(4,5)(6,7)(9,10)(12,13)(15,16)/rA:16nCNCOCCCCCCCCCCCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;d11;s12;s9d13;s2s11;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.07708 |
Area: | 352.781 |
Solvation: | -1.74246 |
Coulombic: | -28.2799 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 211.216 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.4 |
LogP (Chemaxon): | 1.63 |
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 |
---|