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Chemical ID: 6667925
Chemical ID:
6667925
Name [?]:
(4-methylsulfanylphenyl) (3-ethylphenyl)aminoformate
SMILES [?]:
CCc1cccc(c1)NC(=O)Oc2ccc(cc2)SC
InChi [?]:
InChI=1/C16H17NO2S/c1-3-12-5-4-6-13(11-12)17-16(18)19-14-7-9-15(20-2)10-8-14/h4-11H,3H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,2,5,4,6,14,18,15,17,8,3,7,13,16,10,9,11,12,19/E:(7,8)(9,10)/rA:20nCCCCCCCCNCOOCCCCCCSC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7223 |
Area: | 500.216 |
Solvation: | -1.78308 |
Coulombic: | -35.8938 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.378 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.66 |
LogP (Chemaxon): | 5.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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