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Chemical ID: 6506425
Chemical ID:
6506425
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(c(=O)o2)C=Nc4ccccc4N3
InChi [?]:
InChI=1/C16H10N2O2/c19-16-11-9-17-12-6-2-3-7-13(12)18-15(11)10-5-1-4-8-14(10)20-16/h1-9,18H
InChi Info:
AuxInfo=1/0/N:1,16,17,2,6,15,18,3,12,5,8,14,19,4,7,9,13,20,10,11/rA:20nCCCCCCCCCOOCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;d12;s13;s14;d15;s16;d17;d14s18;s7s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.19084 |
Area: | 416.963 |
Solvation: | -2.23324 |
Coulombic: | -36.7811 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 262.263 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.94 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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