Chemical ID: 7718623

Cc1c(nnn1c2ccc(cc2)Br)C(=O)Nc3ccc(cc3)Br
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

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Descriptor Annotations

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