Chemical ID: 7385444

Cc1ccc(cc1n2c3c(cn2)c4nc(nn4cn3)c5ccc(cc5)Cl)Cl
Chemical ID:
7385444
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1n2c3c(cn2)c4nc(nn4cn3)c5ccc(cc5)Cl)Cl
InChi [?]:
InChI=1/C19H12Cl2N6/c1-11-2-5-14(21)8-16(11)27-18-15(9-23-27)19-24-17(25-26(19)10-22-18)12-3-6-13(20)7-4-12/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,21,25,4,22,24,6,11,18,2,20,23,5,10,7,15,9,13,26,27,19,12,14,16,17,8/E:(3,4)(6,7)/rA:27nCCCCCCCNCCCNCNCNNCNCCCCCCClCl/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;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12Cl2N6
All Atoms:39
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.6984
Area:590.418
Solvation:-2.06203
Coulombic:-25.0112
Bond Count [?]
All:31
Single:20
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:395.244
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.93
LogP (Chemaxon):5.43

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Descriptor Annotations

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