Chemical ID: 6794241

c1cc(ccc1C(=O)Cn2cnc3c(c2=O)c4c(s3)CCCC4)Cl
Chemical ID:
6794241
Name [?]:
None
SMILES [?]:
c1cc(ccc1C(=O)Cn2cnc3c(c2=O)c4c(s3)CCCC4)Cl
InChi [?]:
InChI=1/C18H15ClN2O2S/c19-12-7-5-11(6-8-12)14(22)9-21-10-20-17-16(18(21)23)13-3-1-2-4-15(13)24-17/h5-8,10H,1-4,9H2
InChi Info:
AuxInfo=1/0/N:22,21,23,20,1,5,2,4,9,11,6,3,17,7,18,14,13,15,24,12,10,8,16,19/E:(5,6)(7,8)/rA:24nCCCCCCCOCNCNCCCOCCSCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;s10s14;d15;s14;d17;s13s18;s18;s20;s21;s17s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O2S
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.3209
Area:539.593
Solvation:-3.16897
Coulombic:-31.0106
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:358.843
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.51
LogP (Chemaxon):3.37

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