Chemical ID: 5229261

c1ccc2c(c1)nc3n2c(ns3)n4ccnc4
Chemical ID:
5229261
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3n2c(ns3)n4ccnc4
InChi [?]:
InChI=1/C11H7N5S/c1-2-4-9-8(3-1)13-11-16(9)10(14-17-11)15-6-5-12-7-15/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,15,14,17,5,4,10,8,16,7,11,13,9,12/rA:17nCCCCCCNCNCNSNCCNC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s8s11;s10;s13;d14;s15;s13d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7N5S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.62082
Area:381.312
Solvation:-1.91198
Coulombic:-28.4059
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:241.273
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.19
LogP (Chemaxon):2.03

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Experimental Annotations

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Descriptor Annotations

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