Chemical ID: 5239731

c1cc(ccc1C(=O)NC#N)C(=O)NC#N
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

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Descriptor Annotations

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