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Chemical ID: 4280046
Chemical ID:
4280046
Name [?]:
N-[[2-[(3-bromophenyl)methoxy]phenyl]methyleneamino]-2-hydroxy-benzamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)c2ccccc2O)OCc3cccc(c3)Br
InChi [?]:
InChI=1/C21H17BrN2O3/c22-17-8-5-6-15(12-17)14-27-20-11-4-1-7-16(20)13-23-24-21(26)18-9-2-3-10-19(18)25/h1-13,25H,14H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,14,15,2,23,22,6,24,13,16,3,26,7,20,21,5,25,12,17,4,10,27,8,9,18,11,19/rA:27nCCCCCCCNNCOCCCCCCOOCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s4;s19;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17BrN2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60049 |
Area: | 602.114 |
Solvation: | -5.45237 |
Coulombic: | -44.9976 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 425.275 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.44 |
LogP (Chemaxon): | 5.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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