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Chemical ID: 5567106
Chemical ID:
5567106
Name [?]:
4-hydroxy-3-[1-(2-hydroxyethylimino)ethyl]-1-phenyl-quinolin-2-one
SMILES [?]:
CC(=NCCO)c1c(c2ccccc2n(c1=O)c3ccccc3)O
InChi [?]:
InChI=1/C19H18N2O3/c1-13(20-11-12-22)17-18(23)15-9-5-6-10-16(15)21(19(17)24)14-7-3-2-4-8-14/h2-10,22-23H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,11,12,19,23,10,13,4,5,2,18,9,14,7,8,16,3,15,6,24,17/E:(3,4)(7,8)/rA:24nCCNCCOCCCCCCCCNCOCCCCCCO/rB:s1;w2;s3;s4;s5;s2;d7;s8;s9;d10;s11;d12;d9s13;s14;s7s15;d16;s15;s18;d19;s20;d21;d18s22;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.45597 |
Area: | 521.633 |
Solvation: | -4.58485 |
Coulombic: | -55.2548 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 322.358 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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