Chemical ID: 4130992

c1ccc(c(c1)C(=O)NN=Cc2cc(ccc2O)Br)OCc3ccc(cc3)Cl
Chemical ID:
4130992
Name [?]:
N-[(5-bromo-2-hydroxy-phenyl)methyleneamino]-2-[(4-chlorophenyl)methoxy]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NN=Cc2cc(ccc2O)Br)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H16BrClN2O3/c22-16-7-10-19(26)15(11-16)12-24-25-21(27)18-3-1-2-4-20(18)28-13-14-5-8-17(23)9-6-14/h1-12,26H,13H2,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,23,27,15,24,26,16,13,11,21,22,12,14,25,5,17,4,7,19,28,10,9,18,8,20/E:(5,6)(8,9)/rA:28nCCCCCCCONNCCCCCCCOBrOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;s14;s4;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16BrClN2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.59595
Area:624.33
Solvation:-6.0123
Coulombic:-44.0023
Bond Count [?]
All:30
Single:19
Double:11
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:459.72
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.63
LogP (Chemaxon):5.79

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