ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4758950

Chemical ID:

4758950

Name [?]:

2-phenylquinolin-4-ol

SMILES [?]:

c1ccc(cc1)c2cc(c3ccccc3n2)O

InChi [?]:

InChI=1/C15H11NO/c17-15-10-14(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15/h1-10H,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,2,6,12,13,3,5,11,14,8,4,10,15,7,9,16,17/E:(2,3)(6,7)/rA:17nCCCCCCCCCCCCCCCNO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s9;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₁NO
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.97906
Area:	397.216
Solvation:	-1.95134
Coulombic:	-24.3319

Bond Count [?]

All:	19
Single:	11
Double:	8
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	221.254
H-Bond Donors:	1
H-Bond Acceptors:	1
XLogP:	3.75
LogP (Chemaxon):	3.94

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