Chemical ID: 6451470

c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)C=NNC(=O)Cc3ccc(cc3)Cl
Chemical ID:
6451470
Name [?]:
[2,4-dibromo-6-[[2-(4-chlorophenyl)acetyl]aminoiminomethyl]phenyl] benzoate
SMILES [?]:
c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)C=NNC(=O)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H15Br2ClN2O3/c23-17-11-16(13-26-27-20(28)10-14-6-8-18(25)9-7-14)21(19(24)12-17)30-22(29)15-4-2-1-3-5-15/h1-9,11-13H,10H2,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,25,29,26,28,23,12,14,18,24,4,11,13,27,15,21,10,7,17,16,30,19,20,22,8,9/E:(2,3)(4,5)(6,7)(8,9)/rA:30nCCCCCCCOOCCCCCCBrBrCNNCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;s11;w18;s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15Br2ClN2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.7833
Area:684.786
Solvation:-4.33637
Coulombic:-40.0594
Bond Count [?]
All:32
Single:20
Double:12
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:550.627
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:7.53
LogP (Chemaxon):6.69

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Descriptor Annotations

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