Chemical ID: 5787357

c1cc(ccc1c2csc3n2cnc-4ncnc34)Cl
Chemical ID:
5787357
Name [?]:
None
SMILES [?]:
c1cc(ccc1c2csc3n2cnc-4ncnc34)Cl
InChi [?]:
InChI=1/C13H7ClN4S/c14-9-3-1-8(2-4-9)10-5-19-13-11-12(16-6-15-11)17-7-18(10)13/h1-7H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,16,12,6,3,7,18,14,10,19,17,15,13,11,9/E:(1,2)(3,4)/rA:19nCCCCCCCCSCNCNCNCNCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7s10;s11;d12;s13;d14;s15;d16;d10s14s17;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H7ClN4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.27579
Area:443.034
Solvation:-1.80006
Coulombic:-24.6007
Bond Count [?]
All:22
Single:14
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:286.74
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.96
LogP (Chemaxon):2.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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