ChemDB: Chemical Search
Download
Chemical ID: 7063132
Chemical ID:
7063132
Name [?]:
None
SMILES [?]:
CN1CCc2cccc3c2C1CN(C3)S(=O)(=O)c4ccccc4Cl
InChi [?]:
InChI=1/C18H19ClN2O2S/c1-20-10-9-13-5-4-6-14-11-21(12-16(20)18(13)14)24(22,23)17-8-3-2-7-15(17)19/h2-8,16H,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,7,6,8,22,19,4,3,14,12,5,9,23,11,18,10,24,2,13,16,17,15/E:(22,23)/CRV:24.6/rA:24cCNCCCCCCCCCCNCSOOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s9s13;s13;d15;d15;s15;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN2O2S |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.97009 |
Area: | 491.353 |
Solvation: | -2.31374 |
Coulombic: | -14.9079 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 362.874 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.93 |
LogP (Chemaxon): | 3.23 |
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 |
---|