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Chemical ID: 5239731
Chemical ID:
5239731
Name [?]:
N,N'-dicyanobenzene-1,4-dicarboxamide
SMILES [?]:
c1cc(ccc1C(=O)NC#N)C(=O)NC#N
InChi [?]:
InChI=1/C10H6N4O2/c11-5-13-9(15)7-1-2-8(4-3-7)10(16)14-6-12/h1-4H,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,10,15,6,3,7,12,11,16,9,14,8,13/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16nCCCCCCCONCNCONCN/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;t10;s3;d12;s12;s14;t15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6N4O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.46348 |
Area: | 415.398 |
Solvation: | -3.92146 |
Coulombic: | -46.1608 |
Bond Count [?]
All: | 16 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 214.18 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.58 |
LogP (Chemaxon): | -0.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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