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Chemical ID: 7671026
Chemical ID:
7671026
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(c(c2)Cl)NC(=O)c3ccco3)Br
InChi [?]:
InChI=1/C18H12BrClN2O3/c19-13-5-2-1-4-12(13)17(23)21-11-7-8-15(14(20)10-11)22-18(24)16-6-3-9-25-16/h1-10H,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,22,6,3,21,11,12,23,15,10,5,4,14,13,20,7,18,25,16,9,17,8,19,24/rA:25nCCCCCCCONCCCCCCClNCOCCCCOBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s13;s17;d18;s18;d20;s21;d22;s20s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12BrClN2O3 |
All Atoms: | 37 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8284 |
Area: | 563.938 |
Solvation: | -3.27006 |
Coulombic: | -52.3107 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.66 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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