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Chemical ID: 7675063
Chemical ID:
7675063
Name [?]:
None
SMILES [?]:
Cn1c2c(c(cc(n2)C3CC3)C(=O)Nc4cnn(c4)Cc5ccc(c(c5)Cl)Cl)c(n1)C6CC6
InChi [?]:
InChI=1/C24H22Cl2N6O/c1-31-23-21(22(30-31)15-5-6-15)17(9-20(29-23)14-3-4-14)24(33)28-16-10-27-32(12-16)11-13-2-7-18(25)19(26)8-13/h2,7-10,12,14-15H,3-6,11H2,1H3,(H,28,33)
InChi Info:
AuxInfo=1/1/N:1,22,10,11,32,33,23,26,6,16,20,19,21,9,31,15,5,24,25,7,4,29,3,12,28,27,17,14,8,30,2,18,13/E:(3,4)(5,6)/rA:33nCNCCCCCNCCCCONCCNNCCCCCCCCClClCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s9s10;s5;d12;s12;s14;s15;d16;s17;d15s18;s18;s20;s21;d22;s23;d24;d21s25;s25;s24;s4;s2d29;s29;s31;s31s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22Cl2N6O |
All Atoms: | 55 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.7889 |
Area: | 713.138 |
Solvation: | -4.03958 |
Coulombic: | -36.2028 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.12 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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