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Chemical ID: 7088337

Chemical ID:

7088337

Name [?]:

2-(4-chlorophenyl)-2-(4-methoxyphenyl)amino-acetic acid

SMILES [?]:

COc1ccc(cc1)NC(c2ccc(cc2)Cl)C(=O)O

InChi [?]:

InChI=1/C15H14ClNO3/c1-20-13-8-6-12(7-9-13)17-14(15(18)19)10-2-4-11(16)5-3-10/h2-9,14,17H,1H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,12,16,13,15,5,7,4,8,11,14,6,3,10,18,17,9,19,20,2/E:(2,3)(4,5)(6,7)(8,9)(18,19)/rA:20cCOCCCCCCNCCCCCCCClCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;s10;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄ClNO₃
All Atoms:	34
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	8.34888
Area:	486.616
Solvation:	-3.81651
Coulombic:	-48.0488

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	291.729
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.16
LogP (Chemaxon):	2.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value