ChemDB: Chemical Search
Download
Chemical ID: 4266394
Chemical ID:
4266394
Name [?]:
None
SMILES [?]:
C1CCc2nc3c(c4c(s3)CCCC4)c(=O)n2CC1
InChi [?]:
InChI=1/C15H18N2OS/c18-15-13-10-6-3-4-7-11(10)19-14(13)16-12-8-2-1-5-9-17(12)15/h1-9H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,19,14,11,3,18,8,9,4,7,6,15,5,17,16,10/rA:19nCCCCNCCCCSCCCCCONCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s9;s11;s12;s8s13;s7;d15;s4s15;s17;s1s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.34554 |
Area: | 425.366 |
Solvation: | -1.28862 |
Coulombic: | -22.9897 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 274.382 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.49 |
LogP (Chemaxon): | 3.01 |
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 |
---|