Chemical ID: 6433783

c1ccc(c(c1)C=NNc2nc(cs2)c3ccc(cc3)Br)O
Chemical ID:
6433783
Name [?]:
2-[[4-(4-bromophenyl)thiazol-2-yl]aminoiminomethyl]phenol
SMILES [?]:
c1ccc(c(c1)C=NNc2nc(cs2)c3ccc(cc3)Br)O
InChi [?]:
InChI=1/C16H12BrN3OS/c17-13-7-5-11(6-8-13)14-10-22-16(19-14)20-18-9-12-3-1-2-4-15(12)21/h1-10,21H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,20,17,19,7,13,15,5,18,12,4,10,21,8,11,9,22,14/E:(5,6)(7,8)/rA:22nCCCCCCCNNCNCCSCCCCCCBrO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12BrN3OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4974
Area:530.676
Solvation:-2.76955
Coulombic:-34.5526
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

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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