Chemical ID: 7063124

CN1CCc2cccc3c2C1CN(C3)S(=O)(=O)c4ccc(cc4)Cl
Chemical ID:
7063124
Name [?]:
None
SMILES [?]:
CN1CCc2cccc3c2C1CN(C3)S(=O)(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C18H19ClN2O2S/c1-20-10-9-13-3-2-4-14-11-21(12-17(20)18(13)14)24(22,23)16-7-5-15(19)6-8-16/h2-8,17H,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,20,22,19,23,4,3,14,12,5,9,21,18,11,10,24,2,13,16,17,15/E:(5,6)(7,8)(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;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN2O2S
All Atoms:43
Heavy Atoms:24
Chiral Atoms:3
ZAP Information [?]
Total:10.7278
Area:523.372
Solvation:-2.35652
Coulombic:-14.6298
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue