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Chemical ID: 7272549
Chemical ID:
7272549
Name [?]:
N-(2-methylsulfanylphenyl)cyclohexanecarboxamide
SMILES [?]:
CSc1ccccc1NC(=O)C2CCCCC2
InChi [?]:
InChI=1/C14H19NOS/c1-17-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,6,5,13,17,7,4,12,8,3,10,9,11,2/E:(3,4)(7,8)/rA:17nCSCCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NOS |
All Atoms: | 36 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18971 |
Area: | 434.26 |
Solvation: | -1.66679 |
Coulombic: | -22.8832 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 249.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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