Chemical ID: 5793916

COc1ccc(cc1Cl)N=Cc2cc(cc(c2O)Br)Cl
Chemical ID:
5793916
Name [?]:
2-bromo-4-chloro-6-[(3-chloro-4-methoxy-phenyl)iminomethyl]phenol
SMILES [?]:
COc1ccc(cc1Cl)N=Cc2cc(cc(c2O)Br)Cl
InChi [?]:
InChI=1/C14H10BrCl2NO2/c1-20-13-3-2-10(6-12(13)17)18-7-8-4-9(16)5-11(15)14(8)19/h2-7,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,13,15,7,11,12,14,6,16,8,3,17,19,20,9,10,18,2/rA:20nCOCCCCCCClNCCCCCCCOBrCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;w10;s11;s12;d13;s14;d15;d12s16;s17;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10BrCl2NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.24994
Area:469.454
Solvation:-3.48642
Coulombic:-29.5661
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:375.044
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.93
LogP (Chemaxon):5.54

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