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Chemical ID: 4561614
Chemical ID:
4561614
Name [?]:
None
SMILES [?]:
CNc1ccc2c3c1C(=O)c4ccccc4-c3cc(=O)n2C
InChi [?]:
InChI=1/C18H14N2O2/c1-19-13-7-8-14-16-12(9-15(21)20(14)2)10-5-3-4-6-11(10)18(22)17(13)16/h3-9,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,14,13,15,12,4,5,18,16,11,17,3,6,19,7,8,9,2,21,20,10/rA:22nCNCCCCCCCOCCCCCCCCCONC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;d17;s18;d19;s6s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.44948 |
Area: | 445.859 |
Solvation: | -2.697 |
Coulombic: | -37.1722 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 290.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.42 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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