Chemical ID: 3994130

COc1ccc(cc1)NCCC#N
Chemical ID:
3994130
Name [?]:
3-(4-methoxyphenyl)aminopropanenitrile
SMILES [?]:
COc1ccc(cc1)NCCC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H12N2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.31097
Area:373.721
Solvation:-3.03205
Coulombic:-21.0541
Bond Count [?]
All:13
Single:9
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:176.215
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.66
LogP (Chemaxon):1.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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