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Chemical ID: 7519039
Chemical ID:
7519039
Name [?]:
(5-bromo-3-methyl-benzofuran-2-yl)-(4-methylpiperazin-1-yl)-methanone
SMILES [?]:
Cc1c2cc(ccc2oc1C(=O)N3CCN(CC3)C)Br
InChi [?]:
InChI=1/C15H17BrN2O2/c1-10-12-9-11(16)3-4-13(12)20-14(10)15(19)18-7-5-17(2)6-8-18/h3-4,9H,5-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,6,7,15,17,14,18,4,2,5,3,8,10,11,20,16,13,12,9/E:(5,6)(7,8)/rA:20nCCCCCCCCOCCONCCNCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17BrN2O2 |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.61473 |
Area: | 464.293 |
Solvation: | -1.9926 |
Coulombic: | -31.9435 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.21 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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