Chemical ID: 7218386

Cc1ccc(c(c1)OCc2cccc(c2)c3nc4c5cnn(c5ncn4n3)C)Cl
Chemical ID:
7218386
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)OCc2cccc(c2)c3nc4c5cnn(c5ncn4n3)C)Cl
InChi [?]:
InChI=1/C21H17ClN6O/c1-13-6-7-17(22)18(8-13)29-11-14-4-3-5-15(9-14)19-25-21-16-10-24-27(2)20(16)23-12-28(21)26-19/h3-10,12H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,12,11,13,3,4,7,15,20,9,25,2,10,14,19,5,6,16,23,18,29,24,21,17,27,22,26,8/rA:29nCCCCCCCOCCCCCCCCNCCCNNCNCNNCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;d17;s18;s19;d20;s21;d19s22;s23;d24;s18s25;d16s26;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17ClN6O
All Atoms:46
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8937
Area:629.94
Solvation:-3.85482
Coulombic:-31.6971
Bond Count [?]
All:33
Single:22
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:404.852
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.58
LogP (Chemaxon):4.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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