Chemical ID: 4692972

Cc1c(c(n(n1)C)Cl)C#N
Chemical ID:
4692972
Name [?]:
5-chloro-1,3-dimethyl-pyrazole-4-carbonitrile
SMILES [?]:
Cc1c(c(n(n1)C)Cl)C#N
InChi [?]:
InChI=1/C6H6ClN3/c1-4-5(3-8)6(7)10(2)9-4/h1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,9,2,3,4,8,10,6,5/rA:10nCCCCNNCClCN/rB:s1;s2;d3;s4;d2s5;s5;s4;s3;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6ClN3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.38709
Area:312.072
Solvation:-1.41472
Coulombic:-8.00025
Bond Count [?]
All:10
Single:7
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:155.585
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.01
LogP (Chemaxon):0.44

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Descriptor Annotations

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