Chemical ID: 5281909

Cc1ccc(cc1Cl)n2c3c(cn2)c4nc(nn4cn3)C
Chemical ID:
5281909
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1Cl)n2c3c(cn2)c4nc(nn4cn3)C
InChi [?]:
InChI=1/C14H11ClN6/c1-8-3-4-10(5-12(8)15)21-13-11(6-17-21)14-18-9(2)19-20(14)7-16-13/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,3,4,6,12,19,2,16,5,11,7,10,14,8,20,13,15,17,18,9/rA:21nCCCCCCCClNCCCNCNCNNCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;s9d12;s11;d14;s15;d16;s14s17;s18;s10d19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11ClN6
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.86654
Area:474.491
Solvation:-1.99572
Coulombic:-21.8162
Bond Count [?]
All:24
Single:16
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:298.73
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.59
LogP (Chemaxon):3.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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