ChemDB: Chemical Search
Download
Chemical ID: 4773657
Chemical ID:
4773657
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3ccccc3NC(=O)N2
InChi [?]:
InChI=1/C13H10N2O/c16-13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15-13/h1-8H,(H2,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,5,7,4,12,14,16,13,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:16nCCCCCCCCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s12;s13;d14;s4s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.37367 |
Area: | 363.211 |
Solvation: | -1.7066 |
Coulombic: | -35.6998 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 210.231 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.4 |
LogP (Chemaxon): | 3.14 |
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 |
---|