Chemical ID: 3992335

c1nc(c2c3c(sc2n1)CCCC3)N
Chemical ID:
3992335
Name [?]:
None
SMILES [?]:
c1nc(c2c3c(sc2n1)CCCC3)N
InChi [?]:
InChI=1/C10H11N3S/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:12,11,13,10,1,5,6,4,3,8,14,2,9,7/rA:14nCNCCCCSCNCCCCN/rB:s1;d2;s3;s4;d5;s6;d4s7;d1s8;s6;s10;s11;s5s12;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11N3S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.48201
Area:347.639
Solvation:-1.20895
Coulombic:-27.7077
Bond Count [?]
All:16
Single:12
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:205.281
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.88
LogP (Chemaxon):2.13

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Experimental Annotations

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Descriptor Annotations

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