ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 5335282

Chemical ID:

5335282

Name [?]:

4-(1-piperidylsulfonyl)phenol

SMILES [?]:

c1cc(ccc1O)S(=O)(=O)N2CCCCC2

InChi [?]:

InChI=1/C11H15NO3S/c13-10-4-6-11(7-5-10)16(14,15)12-8-2-1-3-9-12/h4-7,13H,1-3,8-9H2

InChi Info:

AuxInfo=1/0/N:14,13,15,1,5,2,4,12,16,6,3,11,7,9,10,8/E:(2,3)(4,5)(6,7)(8,9)(14,15)/CRV:16.6/rA:16nCCCCCCOSOONCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s3;d8;d8;s8;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₅NO₃S
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	7.28357
Area:	398.503
Solvation:	-2.67901
Coulombic:	-23.4062

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	241.308
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.57
LogP (Chemaxon):	1.61

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