Chemical ID: 4221840

c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccc(cc2)Br)O
Chemical ID:
4221840
Name [?]:
N'-(4-bromophenyl)-N-[(2-hydroxyphenyl)methyleneamino]oxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccc(cc2)Br)O
InChi [?]:
InChI=1/C15H12BrN3O3/c16-11-5-7-12(8-6-11)18-14(21)15(22)19-17-9-10-3-1-2-4-13(10)20/h1-9,20H,(H,18,21)(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,19,16,20,7,5,18,15,4,12,10,21,8,14,9,22,13,11/E:(5,6)(7,8)/rA:22nCCCCCCCNNCOCONCCCCCCBrO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12BrN3O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.42487
Area:512.284
Solvation:-3.38224
Coulombic:-60.9599
Bond Count [?]
All:23
Single:14
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:362.178
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.42
LogP (Chemaxon):3.49

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue