Chemical ID: 6401012

COc1ccccc1C(=O)NN=Cc2cc(ccc2O)Br
Chemical ID:
6401012
Name [?]:
N-[(5-bromo-2-hydroxy-phenyl)methyleneamino]-2-methoxy-benzamide
SMILES [?]:
COc1ccccc1C(=O)NN=Cc2cc(ccc2O)Br
InChi [?]:
InChI=1/C15H13BrN2O3/c1-21-14-5-3-2-4-12(14)15(20)18-17-9-10-8-11(16)6-7-13(10)19/h2-9,19H,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,17,18,15,13,14,16,8,19,3,9,21,12,11,20,10,2/rA:21nCOCCCCCCCONNCCCCCCCOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;w12;s13;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:6.19003
Area:475.677
Solvation:-5.70189
Coulombic:-41.8578
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:4.3
LogP (Chemaxon):3.5

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