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Chemical ID: 4403911

Chemical ID:

4403911

Name [?]:

(4-morpholinosulfonylphenyl)-pyrrolidin-1-yl-methanone

SMILES [?]:

c1cc(ccc1C(=O)N2CCCC2)S(=O)(=O)N3CCOCC3

InChi [?]:

InChI=1/C15H20N2O4S/c18-15(16-7-1-2-8-16)13-3-5-14(6-4-13)22(19,20)17-9-11-21-12-10-17/h3-6H,1-2,7-12H2

InChi Info:

AuxInfo=1/0/N:11,12,1,5,2,4,10,13,18,22,19,21,6,3,7,9,17,8,15,16,20,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(19,20)/CRV:22.6/rA:22nCCCCCCCONCCCCSOONCCOCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s9s12;s3;d14;d14;s14;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₀N₂O₄S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.43659
Area:	500.811
Solvation:	-4.08368
Coulombic:	-32.3262

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	324.396
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	0.76
LogP (Chemaxon):	0.3

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