ChemDB: Chemical Search
Download
Chemical ID: 7693664
Chemical ID:
7693664
Name [?]:
None
SMILES [?]:
c1cc(ccc1c2nnc3n2nc(cc3)SCC(=O)N4CCCC4)F
InChi [?]:
InChI=1/C17H16FN5OS/c18-13-5-3-12(4-6-13)17-20-19-14-7-8-15(21-23(14)17)25-11-16(24)22-9-1-2-10-22/h3-8H,1-2,9-11H2
InChi Info:
AuxInfo=1/0/N:22,23,1,5,2,4,15,14,21,24,17,6,3,10,13,18,7,25,9,8,12,20,11,19,16/E:(1,2)(3,4)(5,6)(9,10)/rA:25nCCCCCCCNNCNNCCCSCCONCCCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s11;d12;s13;s10d14;s13;s16;s17;d18;s18;s20;s21;s22;s20s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16FN5OS |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.31748 |
Area: | 527.638 |
Solvation: | -3.87348 |
Coulombic: | -31.046 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.57 |
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 |
---|