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Chemical ID: 7692775
Chemical ID:
7692775
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3(C(=C(N(C4=C3C(=O)CCC4)c5cc(cc(c5)Cl)Cl)n6cccc6)C#N)C(=O)N2
InChi [?]:
InChI=1/C27H18Cl2N4O2/c28-16-12-17(29)14-18(13-16)33-22-8-5-9-23(34)24(22)27(19-6-1-2-7-21(19)31-26(27)35)20(15-30)25(33)32-10-3-4-11-32/h1-4,6-7,10-14H,5,8-9H2,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,2,28,29,16,6,3,17,15,27,30,21,19,23,31,20,22,18,5,8,4,11,13,12,9,33,7,25,24,32,35,26,10,14,34/E:(3,4)(10,11)(13,14)(16,17)(28,29)/rA:35cCCCCCCCCCNCCCOCCCCCCCCCClClNCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;s7d11;s12;d13;s13;s15;s11s16;s10;s18;d19;s20;d21;d18s22;s22;s20;s9;s26;d27;s28;s26d29;s8;t31;s7;d33;s4s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H18Cl2N4O2 |
All Atoms: | 53 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.4518 |
Area: | 649.812 |
Solvation: | -3.79352 |
Coulombic: | -42.9917 |
Bond Count [?]
All: | 40 |
Single: | 27 |
Double: | 12 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.19 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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