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Chemical ID: 7027150
Chemical ID:
7027150
Name [?]:
N-[(3-chlorophenyl)methyleneamino]-4-(4-fluorophenyl)-thiazol-2-amine
SMILES [?]:
c1cc(cc(c1)Cl)C=NNc2nc(cs2)c3ccc(cc3)F
InChi [?]:
InChI=1/C16H11ClFN3S/c17-13-3-1-2-11(8-13)9-19-21-16-20-15(10-22-16)12-4-6-14(18)7-5-12/h1-10H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,21,18,20,4,8,14,3,16,5,19,13,11,7,22,9,12,10,15/E:(4,5)(6,7)/rA:22nCCCCCCClCNNCNCCSCCCCCCF/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: | C16H11ClFN3S |
All Atoms: | 33 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3843 |
Area: | 539.568 |
Solvation: | -3.10487 |
Coulombic: | -22.2049 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 331.796 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.96 |
LogP (Chemaxon): | 5.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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