Chemical ID: 7272549

CSc1ccccc1NC(=O)C2CCCCC2
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

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Descriptor Annotations

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