Chemical ID: 6320712

CCCCCC(=O)Nc1nc2ccccc2s1
Chemical ID:
6320712
Name [?]:
N-benzothiazol-2-ylhexanamide
SMILES [?]:
CCCCCC(=O)Nc1nc2ccccc2s1
InChi [?]:
InChI=1/C13H16N2OS/c1-2-3-4-9-12(16)15-13-14-10-7-5-6-8-11(10)17-13/h5-8H,2-4,9H2,1H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,13,14,12,15,5,11,16,6,9,10,8,7,17/rA:17nCCCCCCONCNCCCCCCS/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2OS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.89857
Area:454.525
Solvation:-2.46456
Coulombic:-26.9392
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:248.345
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.15
LogP (Chemaxon):4.22

Name Annotations

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Descriptor Annotations

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