Chemical ID: 3964957

c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N
Chemical ID:
3964957
Name [?]:
None
SMILES [?]:
c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N
InChi [?]:
InChI=1/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,10,6,5,3,9,7,4,8,11,14,16,13,12,15/rA:16nCCCCCCCCCCCONCON/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s11;s7s13;d14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.77001
Area:355.603
Solvation:-2.12006
Coulombic:-47.3672
Bond Count [?]
All:18
Single:11
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:212.204
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.44
LogP (Chemaxon):0.6

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Experimental Annotations

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Descriptor Annotations

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