Chemical ID: 4324763

c1cc(cc(c1)O)C=NNc2nc(cs2)c3ccc(cc3)Br
Chemical ID:
4324763
Name [?]:
3-[[4-(4-bromophenyl)thiazol-2-yl]aminoiminomethyl]phenol
SMILES [?]:
c1cc(cc(c1)O)C=NNc2nc(cs2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C16H12BrN3OS/c17-13-6-4-12(5-7-13)15-10-22-16(19-15)20-18-9-11-2-1-3-14(21)8-11/h1-10,21H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,21,18,20,4,8,14,3,16,19,5,13,11,22,9,12,10,7,15/E:(4,5)(6,7)/rA:22nCCCCCCOCNNCNCCSCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12BrN3OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4428
Area:533.945
Solvation:-2.90587
Coulombic:-34.102
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:374.256
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.57
LogP (Chemaxon):5.66

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