Chemical ID: 7221571

c1ccc2c(c1)c3nc(nn3cn2)c4cc(cs4)Br
Chemical ID:
7221571
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3nc(nn3cn2)c4cc(cs4)Br
InChi [?]:
InChI=1/C13H7BrN4S/c14-8-5-11(19-6-8)12-16-13-9-3-1-2-4-10(9)15-7-18(13)17-12/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,15,17,12,16,5,4,14,9,7,19,13,8,10,11,18/rA:19nCCCCCCCNCNNCNCCCCSBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;s4d12;s9;d14;s15;d16;s14s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H7BrN4S
All Atoms:26
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.90471
Area:452.562
Solvation:-1.40933
Coulombic:-19.4241
Bond Count [?]
All:22
Single:14
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:331.192
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.97
LogP (Chemaxon):3.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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