Chemical ID: 5292052

Cc1ccc(cc1n2c3c(cn2)c4nc(nn4cn3)c5ccncc5)Cl
Chemical ID:
5292052
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1n2c3c(cn2)c4nc(nn4cn3)c5ccncc5)Cl
InChi [?]:
InChI=1/C18H12ClN7/c1-11-2-3-13(19)8-15(11)26-17-14(9-22-26)18-23-16(24-25(18)10-21-17)12-4-6-20-7-5-12/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,21,25,22,24,6,11,18,2,20,5,10,7,15,9,13,26,23,19,12,14,16,17,8/E:(4,5)(6,7)/rA:26nCCCCCCCNCCCNCNCNNCNCCCNCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s8d11;s10;d13;s14;d15;s13s16;s17;s9d18;s15;s20;d21;s22;d23;d20s24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12ClN7
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.1248
Area:553.046
Solvation:-2.70134
Coulombic:-27.4734
Bond Count [?]
All:30
Single:19
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:361.788
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.05
LogP (Chemaxon):3.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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