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Chemical ID: 5762570
Chemical ID:
5762570
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=NC(=O)c3ccccc3N2)c4cccc(c4)O
InChi [?]:
InChI=1/C20H14N2O2/c23-14-7-5-6-13(12-14)19-15-8-1-3-10-17(15)21-18-11-4-2-9-16(18)20(24)22-19/h1-12,21,23H
InChi Info:
AuxInfo=1/0/N:1,13,2,14,20,19,21,6,12,3,15,23,18,22,5,11,4,16,7,9,17,8,24,10/rA:24nCCCCCCCNCOCCCCCCNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s4s16;s7;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37905 |
Area: | 488.104 |
Solvation: | -2.82355 |
Coulombic: | -46.4585 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 314.337 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.42 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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