Chemical ID: 6490352

c1ccc2c(c1)ccc(c2Br)OCC(=O)NN=Cc3ccc(cc3Cl)Cl
Chemical ID:
6490352
Name [?]:
2-[(1-bromo-2-naphthyl)oxy]-N-[(2,4-dichlorophenyl)methyleneamino]acetamide
SMILES [?]:
c1ccc2c(c1)ccc(c2Br)OCC(=O)NN=Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C19H13BrCl2N2O2/c20-19-15-4-2-1-3-12(15)6-8-17(19)26-11-18(25)24-23-10-13-5-7-14(21)9-16(13)22/h1-10H,11H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,20,7,21,8,23,18,13,5,19,22,4,24,9,14,10,11,26,25,17,16,15,12/rA:26nCCCCCCCCCCBrOCCONNCCCCCCCClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s9;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13BrCl2N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.65798
Area:611.666
Solvation:-5.63367
Coulombic:-27.6496
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:452.128
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.98
LogP (Chemaxon):5.85

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