Chemical ID: 7706621

Cc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccccc2Br
Chemical ID:
7706621
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccccc2Br
InChi [?]:
InChI=1/C17H16BrN3O2/c1-12-6-8-13(9-7-12)17(23)19-11-16(22)21-20-10-14-4-2-3-5-15(14)18/h2-10H,11H2,1H3,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,3,7,4,6,16,11,2,5,17,22,12,8,23,10,15,14,13,9/E:(6,7)(8,9)/rA:23nCCCCCCCCONCCONNCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16BrN3O2
All Atoms:39
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:9.35096
Area:544.588
Solvation:-4.26374
Coulombic:-41.3854
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.4
LogP (Chemaxon):None

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Descriptor Annotations

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