ChemDB: Chemical Search
Download
Chemical ID: 7678776
Chemical ID:
7678776
Name [?]:
None
SMILES [?]:
CCOC(=O)C(C)n1cnc2c(c1=O)nnn2c3cccc(c3)Cl
InChi [?]:
InChI=1/C15H14ClN5O3/c1-3-24-15(23)9(2)20-8-17-13-12(14(20)22)18-19-21(13)11-6-4-5-10(16)7-11/h4-9H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,20,21,19,23,9,6,22,18,12,11,13,4,24,10,15,16,8,17,14,5,3/rA:24cCCOCOCCNCNCCCONNNCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;d11;s8s12;d13;s12;d15;s11s16;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClN5O3 |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8624 |
Area: | 548.284 |
Solvation: | -2.84471 |
Coulombic: | -47.8715 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.74 |
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 |
---|