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Chemical ID: 5070467
Chemical ID:
5070467
Name [?]:
1-(4-ethylsulfanylphenyl)ethanamine
SMILES [?]:
CCSc1ccc(cc1)C(C)N
InChi [?]:
InChI=1/C10H15NS/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,6,8,5,9,10,7,4,12,3/E:(4,5)(6,7)/rA:12cCCSCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15NS |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.11544 |
Area: | 365.952 |
Solvation: | -1.03337 |
Coulombic: | -14.8541 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 181.299 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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