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Chemical ID: 7176673
Chemical ID:
7176673
Name [?]:
N-[(2-phenylthiazol-5-yl)methyl]ethanamine
SMILES [?]:
CCNCc1cnc(s1)c2ccccc2
InChi [?]:
InChI=1/C12H14N2S/c1-2-13-8-11-9-14-12(15-11)10-6-4-3-5-7-10/h3-7,9,13H,2,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,11,15,4,6,10,5,8,3,7,9/E:(4,5)(6,7)/rA:15nCCNCCCNCSCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2S |
All Atoms: | 29 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01282 |
Area: | 417.748 |
Solvation: | -1.43089 |
Coulombic: | -16.3785 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 218.319 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.69 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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