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Chemical ID: 4144999
Chemical ID:
4144999
Name [?]:
4-(4-bromophenyl)-N-[(3-fluorophenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
c1cc(cc(c1)F)C=NNc2nc(cs2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C16H11BrFN3S/c17-13-6-4-12(5-7-13)15-10-22-16(20-15)21-19-9-11-2-1-3-14(18)8-11/h1-10H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,21,18,20,4,8,14,3,16,19,5,13,11,22,7,9,12,10,15/E:(4,5)(6,7)/rA:22nCCCCCCFCNNCNCCSCCCCCCBr/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: | C16H11BrFN3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2261 |
Area: | 523.867 |
Solvation: | -2.87063 |
Coulombic: | -22.0274 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 376.247 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.14 |
LogP (Chemaxon): | 6.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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