Chemical ID: 7217977

Cn1c2c(cn1)c3nc(nn3cn2)c4cccc(c4)COc5ccc(cc5)Cl
Chemical ID:
7217977
Name [?]:
None
SMILES [?]:
Cn1c2c(cn1)c3nc(nn3cn2)c4cccc(c4)COc5ccc(cc5)Cl
InChi [?]:
InChI=1/C20H15ClN6O/c1-26-19-17(10-23-26)20-24-18(25-27(20)12-22-19)14-4-2-3-13(9-14)11-28-16-7-5-15(21)6-8-16/h2-10,12H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,24,26,23,27,19,5,20,12,18,14,25,22,4,9,3,7,28,13,6,8,10,2,11,21/E:(5,6)(7,8)/rA:28nCNCCCNCNCNNCNCCCCCCCOCCCCCCCl/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15ClN6O
All Atoms:43
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.571
Area:613.661
Solvation:-3.77052
Coulombic:-31.4677
Bond Count [?]
All:32
Single:21
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:390.826
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.14
LogP (Chemaxon):4.29

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