ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7658291

Chemical ID:

7658291

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)C2Cc3cc(c(cc3CN2)O)O

InChi [?]:

InChI=1/C16H17NO2/c1-10-2-4-11(5-3-10)14-6-12-7-15(18)16(19)8-13(12)9-17-14/h2-5,7-8,14,17-19H,6,9H2,1H3

InChi Info:

AuxInfo=1/0/N:1,3,7,4,6,9,11,14,16,2,5,10,15,8,12,13,17,19,18/E:(2,3)(4,5)/rA:19cCCCCCCCCCCCCCCCCNOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s8s16;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₇NO₂
All Atoms:	36
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	7.72196
Area:	441.792
Solvation:	-3.32283
Coulombic:	-42.1479

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	1
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.25
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value