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Chemical ID: 7385444
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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