Chemical ID: 7708470

COc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccccc2Br
Chemical ID:
7708470
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccccc2Br
InChi [?]:
InChI=1/C17H16BrN3O3/c1-24-14-8-6-12(7-9-14)17(23)19-11-16(22)21-20-10-13-4-2-3-5-15(13)18/h2-10H,11H2,1H3,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,5,7,4,8,17,12,6,18,3,23,13,9,24,11,16,15,14,10,2/E:(6,7)(8,9)/rA:24nCOCCCCCCCONCCONNCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16BrN3O3
All Atoms:40
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:8.44083
Area:562.856
Solvation:-5.63057
Coulombic:-47.597
Bond Count [?]
All:25
Single:16
Double:9
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.88
LogP (Chemaxon):None

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Descriptor Annotations

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