ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 5162764

Chemical ID:

5162764

Name [?]:

7-methoxy-2-phenyl-quinolin-4-ol

SMILES [?]:

COc1ccc2c(c1)nc(cc2O)c3ccccc3

InChi [?]:

InChI=1/C16H13NO2/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,17,16,18,15,19,4,5,8,11,14,3,6,10,7,12,9,13,2/E:(3,4)(5,6)/rA:19nCOCCCCCCNCCCOCCCCCC/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s12;s10;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃NO₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	7.60596
Area:	433.567
Solvation:	-3.23322
Coulombic:	-30.3752

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	251.28
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.66
LogP (Chemaxon):	3.68

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value