Chemical ID: 5647959

Cc1nc(c2c3c(sc2n1)CCCC3)n4c(c(cn4)C#N)N
Chemical ID:
5647959
Name [?]:
None
SMILES [?]:
Cc1nc(c2c3c(sc2n1)CCCC3)n4c(c(cn4)C#N)N
InChi [?]:
InChI=1/C15H14N6S/c1-8-19-14(21-13(17)9(6-16)7-18-21)12-10-4-2-3-5-11(10)22-15(12)20-8/h7H,2-5,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,20,18,2,17,6,7,5,16,4,9,21,22,19,3,10,15,8/rA:22nCCNCCCCSCNCCCCNCCCNCNN/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;d2s9;s7;s11;s12;s6s13;s4;s15;d16;s17;s15d18;s17;t20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N6S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.91581
Area:481.284
Solvation:-2.11628
Coulombic:-35.7977
Bond Count [?]
All:25
Single:18
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:310.378
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.89
LogP (Chemaxon):2.77

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Descriptor Annotations

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