Chemical ID: 5280082

c1cc2c3c(c1)C(=C(C#N)C#N)C(=O)N3CCC2
Chemical ID:
5280082
Name [?]:
None
SMILES [?]:
c1cc2c3c(c1)C(=C(C#N)C#N)C(=O)N3CCC2
InChi [?]:
InChI=1/C14H9N3O/c15-7-10(8-16)12-11-5-1-3-9-4-2-6-17(13(9)11)14(12)18/h1,3,5H,2,4,6H2
InChi Info:
AuxInfo=1/0/N:1,17,2,18,6,16,9,11,3,8,5,7,4,13,10,12,15,14/E:(7,8)(15,16)/rA:18nCCCCCCCCCNCNCONCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;t9;s8;t11;s7;d13;s4s13;s15;s16;s3s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9N3O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.57094
Area:403.468
Solvation:-2.51575
Coulombic:-22.0549
Bond Count [?]
All:20
Single:13
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:235.241
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.45
LogP (Chemaxon):1.36

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Descriptor Annotations

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