Chemical ID: 6530139

Cc1cccc(c1)C#N
Chemical ID:
6530139
Name [?]:
3-methylbenzonitrile
SMILES [?]:
Cc1cccc(c1)C#N
InChi [?]:
InChI=1/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,7,8,2,6,9/rA:9nCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;t8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7N
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.23294
Area:282.648
Solvation:-0.833265
Coulombic:-5.03511
Bond Count [?]
All:9
Single:5
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:117.148
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.18
LogP (Chemaxon):2.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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