Chemical ID: 7027150

c1cc(cc(c1)Cl)C=NNc2nc(cs2)c3ccc(cc3)F
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

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