Chemical ID: 4163823

CC(C)C(C#N)C(n1cncn1)Oc2ccc(cc2)Cl
Chemical ID:
4163823
Name [?]:
2-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-3-methyl-butanenitrile
SMILES [?]:
CC(C)C(C#N)C(n1cncn1)Oc2ccc(cc2)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H15ClN4O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:8.66358
Area:480.174
Solvation:-3.34076
Coulombic:-22.0642
Bond Count [?]
All:21
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.748
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.28
LogP (Chemaxon):3.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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