Chemical ID: 4480651

CCCCCNC(=O)C(C)Sc1ccc(cc1)Cl
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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Descriptor Annotations

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