ChemDB: Chemical Search
Download
Chemical ID: 7671471
Chemical ID:
7671471
Name [?]:
None
SMILES [?]:
Cc1cccnc1NC(=O)Cc2cccc3c2cccc3
InChi [?]:
InChI=1/C18H16N2O/c1-13-6-5-11-19-18(13)20-17(21)12-15-9-4-8-14-7-2-3-10-16(14)15/h2-11H,12H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,14,4,3,21,15,13,18,5,11,2,16,12,17,9,7,6,8,10/rA:21nCCCCCNCNCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O |
All Atoms: | 37 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.76216 |
Area: | 467.543 |
Solvation: | -3.92642 |
Coulombic: | -24.9521 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.77 |
LogP (Chemaxon): | None |
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 |
---|