Chemical ID: 7217839

Cn1c2c(cn1)c3nc(nn3cn2)c4cccc(c4)COc5cc(ccc5Cl)Cl
Chemical ID:
7217839
Name [?]:
None
SMILES [?]:
Cn1c2c(cn1)c3nc(nn3cn2)c4cccc(c4)COc5cc(ccc5Cl)Cl
InChi [?]:
InChI=1/C20H14Cl2N6O/c1-27-19-15(9-24-27)20-25-18(26-28(20)11-23-19)13-4-2-3-12(7-13)10-29-17-8-14(21)5-6-16(17)22/h2-9,11H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,25,26,19,23,5,20,12,18,14,24,4,27,22,9,3,7,29,28,13,6,8,10,2,11,21/rA:29nCNCCCNCNCNNCNCCCCCCCOCCCCCCClCl/rB:s1;s2;d3;s4;s2d5;s4;d7;s8;d9;s7s10;s11;s3d12;s9;s14;d15;s16;d17;d14s18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14Cl2N6O
All Atoms:43
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.2278
Area:644.929
Solvation:-3.8954
Coulombic:-31.5682
Bond Count [?]
All:33
Single:22
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:425.27
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.76
LogP (Chemaxon):4.81

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Descriptor Annotations

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