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Chemical ID: 6433783
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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