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Chemical ID: 6832770
Chemical ID:
6832770
Name [?]:
6-methoxy-2-phenyl-1H-quinolin-4-ol
SMILES [?]:
COc1ccc2c(c1)c(cc([nH+]2)c3ccccc3)O
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)/p+1
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,4,5,8,10,13,3,7,6,11,9,12,19,2/E:(3,4)(5,6)/rA:19nCOCCCCCCCCCN+CCCCCCO/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;d14;s15;d16;d13s17;s9;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14NO2+ |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.8233 |
Area: | 435.791 |
Solvation: | -33.7181 |
Coulombic: | -15.4487 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 252.288 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.66 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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