Chemical ID: 5792522

COc1ccccc1C=NNC(=O)c2cc(ccc2O)Br
Chemical ID:
5792522
Name [?]:
5-bromo-2-hydroxy-N-[(2-methoxyphenyl)methyleneamino]benzamide
SMILES [?]:
COc1ccccc1C=NNC(=O)c2cc(ccc2O)Br
InChi [?]:
InChI=1/C15H13BrN2O3/c1-21-14-5-3-2-4-10(14)9-17-18-15(20)12-8-11(16)6-7-13(12)19/h2-9,19H,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,17,18,15,9,8,16,14,19,3,12,21,10,11,20,13,2/rA:21nCOCCCCCCCNNCOCCCCCCOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrN2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.95023
Area:484.436
Solvation:-5.16068
Coulombic:-42.4511
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:349.179
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.73
LogP (Chemaxon):4.15

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