Chemical ID: 5606133

c1ccc(cc1)C(=O)NC#N
Chemical ID:
5606133
Name [?]:
N-cyanobenzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC#N
InChi [?]:
InChI=1/C8H6N2O/c9-6-10-8(11)7-4-2-1-3-5-7/h1-5H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,4,7,11,9,8/E:(2,3)(4,5)/rA:11nCCCCCCCONCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6N2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.84934
Area:316.743
Solvation:-2.06924
Coulombic:-24.5659
Bond Count [?]
All:11
Single:6
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:146.146
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.8
LogP (Chemaxon):0.91

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Experimental Annotations

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Descriptor Annotations

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