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Chemical ID: 6832769
Chemical ID:
6832769
Name [?]:
6-methoxy-2-phenyl-1H-quinolin-4-one
SMILES [?]:
COc1ccc2c(c1)c(=O)cc([nH]2)c3ccccc3
InChi [?]:
InChI=1/C16H13NO2/c1-19-12-7-8-14-13(9-12)16(18)10-15(17-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,4,5,8,11,14,3,7,6,12,9,13,10,2/E:(3,4)(5,6)/rA:19nCOCCCCCCCOCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;d11;s6s12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13NO2 |
All Atoms: | 32 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.59187 |
Area: | 433.953 |
Solvation: | -3.25696 |
Coulombic: | -27.9393 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.28 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.66 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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