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Chemical ID: 6401012
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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