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Chemical ID: 3964957
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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