Chemical ID: 6465536

Cc1cccc2c1nc3c(c2)C=Nc4ccccc4S3
Chemical ID:
6465536
Name [?]:
None
SMILES [?]:
Cc1cccc2c1nc3c(c2)C=Nc4ccccc4S3
InChi [?]:
InChI=1/C17H12N2S/c1-11-5-4-6-12-9-13-10-18-14-7-2-3-8-15(14)20-17(13)19-16(11)12/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,4,3,5,15,18,11,12,2,6,10,14,19,7,9,13,8,20/rA:20nCCCCCCCNCCCCNCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s9s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.35192
Area:438.231
Solvation:-1.60386
Coulombic:-13.7034
Bond Count [?]
All:23
Single:14
Double:9
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:276.357
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.97
LogP (Chemaxon):5.96

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Descriptor Annotations

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