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Chemical ID: 7690143
Chemical ID:
7690143
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2c(cn(n2)CC(=O)N)C3c4c(n[nH]c4OC(=C3C#N)N)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C24H18ClN7O2/c25-15-8-6-14(7-9-15)22-20-19(16(10-26)23(28)34-24(20)30-29-22)17-11-32(12-18(27)33)31-21(17)13-4-2-1-3-5-13/h1-9,11,19H,12,28H2,(H2,27,33)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,29,33,30,32,25,9,12,4,28,31,24,8,13,16,17,7,18,23,21,34,26,15,27,19,20,11,10,14,22/E:(2,3)(4,5)(6,7)(8,9)/rA:34cCCCCCCCCCNNCCONCCCNNCOCCCNNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s13;s8;s16;s17;d18;s19;d17s20;s21;s22;s16d23;s24;t25;s23;s18;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18ClN7O2 |
All Atoms: | 52 |
Heavy Atoms: | 34 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.68508 |
Area: | 630.23 |
Solvation: | -6.07067 |
Coulombic: | -66.6789 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 12 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.96 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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