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Chemical ID: 4480651
Chemical ID:
4480651
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-pentyl-propanamide
SMILES [?]:
CCCCCNC(=O)C(C)Sc1ccc(cc1)Cl
InChi [?]:
InChI=1/C14H20ClNOS/c1-3-4-5-10-16-14(17)11(2)18-13-8-6-12(15)7-9-13/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,10,2,3,4,14,16,13,17,5,9,15,12,7,18,6,8,11/E:(6,7)(8,9)/rA:18cCCCCCNCOCCSCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s9;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20ClNOS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5911 |
Area: | 508.444 |
Solvation: | -2.11999 |
Coulombic: | -23.9795 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 285.833 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.51 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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