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Chemical ID: 7718623
Chemical ID:
7718623
Name [?]:
None
SMILES [?]:
Cc1c(nnn1c2ccc(cc2)Br)C(=O)Nc3ccc(cc3)Br
InChi [?]:
InChI=1/C16H12Br2N4O/c1-10-15(16(23)19-13-6-2-11(17)3-7-13)20-21-22(10)14-8-4-12(18)5-9-14/h2-9H,1H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,19,21,9,11,18,22,8,12,2,20,10,17,7,3,14,23,13,16,4,5,6,15/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCCCNNNCCCCCCBrCONCCCCCCBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s10;s3;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12Br2N4O |
All Atoms: | 35 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4349 |
Area: | 533.875 |
Solvation: | -1.91197 |
Coulombic: | -27.8683 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.28 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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