ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7088973

Chemical ID:

7088973

Name [?]:

4-(4-methoxyphenyl)-N,N-dimethyl-aniline

SMILES [?]:

CN(C)c1ccc(cc1)c2ccc(cc2)OC

InChi [?]:

InChI=1/C15H17NO/c1-16(2)14-8-4-12(5-9-14)13-6-10-15(17-3)11-7-13/h4-11H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,17,6,8,11,15,5,9,12,14,7,10,4,13,2,16/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:17nCNCCCCCCCCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;d10s14;s13;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₇NO
All Atoms:	34
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.87156
Area:	426.049
Solvation:	-2.77967
Coulombic:	-15.2853

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	227.302
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.09
LogP (Chemaxon):	3.74

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