Chemical ID: 6414370

Cc1cc(c(c(c1)Br)O)C=Nc2ccc(c(c2)Cl)OC
Chemical ID:
6414370
Name [?]:
2-bromo-6-[(3-chloro-4-methoxy-phenyl)iminomethyl]-4-methyl-phenol
SMILES [?]:
Cc1cc(c(c(c1)Br)O)C=Nc2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C15H13BrClNO2/c1-9-5-10(15(19)12(16)6-9)8-18-11-3-4-14(20-2)13(17)7-11/h3-8,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,13,14,3,7,17,10,2,4,12,6,16,15,5,8,18,11,9,19/rA:20nCCCCCCCBrOCNCCCCCCClOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s4;w10;s11;s12;d13;s14;d15;d12s16;s16;s15;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrClNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.25873
Area:465.56
Solvation:-3.38026
Coulombic:-29.8585
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:354.626
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.74
LogP (Chemaxon):5.49

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