Chemical ID: 3995641

c1cc(cc(c1)Cl)NCCC#N
Chemical ID:
3995641
Name [?]:
3-(3-chlorophenyl)aminopropanenitrile
SMILES [?]:
c1cc(cc(c1)Cl)NCCC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H9ClN2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.65157
Area:372.185
Solvation:-1.65306
Coulombic:-15.0466
Bond Count [?]
All:12
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:180.634
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.37
LogP (Chemaxon):2.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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