ChemDB: Chemical Search
Download
Chemical ID: 7678705
Chemical ID:
7678705
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)n2c3c(c(=O)n(cn3)CC(=O)NC4CCCCC4)nn2
InChi [?]:
InChI=1/C18H19ClN6O2/c19-12-5-4-8-14(9-12)25-17-16(22-23-25)18(27)24(11-20-17)10-15(26)21-13-6-2-1-3-7-13/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,21,26)
InChi Info:
AuxInfo=1/1/N:23,22,24,1,6,21,25,2,4,16,14,5,20,3,17,10,9,11,7,15,19,26,27,13,8,18,12/E:(2,3)(6,7)/rA:27nCCCCCCClNCCCONCNCCONCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;s21;s22;s23;s20s24;s10;s8d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN6O2 |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4167 |
Area: | 595.833 |
Solvation: | -3.4791 |
Coulombic: | -49.3772 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.09 |
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 |
---|