Chemical ID: 5236132

COc1cccc(c1)NCCCSC
Chemical ID:
5236132
Name [?]:
3-methoxy-N-(3-methylsulfanylpropyl)aniline
SMILES [?]:
COc1cccc(c1)NCCCSC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H17NOS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.91678
Area:420.883
Solvation:-2.60529
Coulombic:-20.6674
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:211.325
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.98
LogP (Chemaxon):2.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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