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Chemical ID: 5214066
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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