ChemDB: Chemical Search
Download
Chemical ID: 7666871
Chemical ID:
7666871
Name [?]:
None
SMILES [?]:
Cc1c(cnn1C)S(=O)(=O)N2CCNCC2
InChi [?]:
InChI=1/C9H16N4O2S/c1-8-9(7-11-12(8)2)16(14,15)13-5-3-10-4-6-13/h7,10H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,13,15,12,16,4,2,3,14,5,6,11,9,10,8/E:(3,4)(5,6)(14,15)/CRV:16.6/rA:16nCCCCNNCSOONCCNCC/rB:s1;d2;s3;d4;s2s5;s6;s3;d8;d8;s8;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N4O2S |
All Atoms: | 32 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.06472 |
Area: | 391.913 |
Solvation: | -2.73312 |
Coulombic: | -18.7192 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.76 |
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 |
---|