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Chemical ID: 7708190
Chemical ID:
7708190
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)NC(=O)c2cc(ccc2Br)Br
InChi [?]:
InChI=1/C15H13Br2NO3/c1-20-13-6-4-10(8-14(13)21-2)18-15(19)11-7-9(16)3-5-12(11)17/h3-8H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,10,17,5,18,4,15,7,16,6,14,19,3,8,12,21,20,11,13,2,9/rA:21nCOCCCCCCOCNCOCCCCCCBrBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Br2NO3 |
All Atoms: | 34 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.27828 |
Area: | 501.348 |
Solvation: | -5.25543 |
Coulombic: | -35.0866 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.15 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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