Chemical ID: 5214066

c1ccc(cc1)N=NC(C#N)C#N
Chemical ID:
5214066
Name [?]:
2-phenylazopropanedinitrile
SMILES [?]:
c1ccc(cc1)N=NC(C#N)C#N
InChi [?]:
InChI=1/C9H6N4/c10-6-9(7-11)13-12-8-4-2-1-3-5-8/h1-5,9H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,12,4,9,11,13,7,8/E:(2,3)(4,5)(6,7)(10,11)/rA:13nCCCCCCNNCCNCN/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;t10;s9;t12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.0708
Area:343.962
Solvation:-2.52825
Coulombic:-10.7351
Bond Count [?]
All:13
Single:7
Double:4
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:170.171
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.01
LogP (Chemaxon):2.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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