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Chemical ID: 4825240

Chemical ID:

4825240

Name [?]:

1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide

SMILES [?]:

c1cc(ccc1S(=O)(=O)N2CCCC(C2)C(=O)NN)Cl

InChi [?]:

InChI=1/C12H16ClN3O3S/c13-10-3-5-11(6-4-10)20(18,19)16-7-1-2-9(8-16)12(17)15-14/h3-6,9H,1-2,7-8,14H2,(H,15,17)

InChi Info:

AuxInfo=1/1/N:12,13,2,4,1,5,11,15,14,3,6,16,20,19,18,10,17,8,9,7/E:(3,4)(5,6)(18,19)/CRV:20.6/rA:20cCCCCCCSOONCCCCCCONNCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s10s14;s14;d16;s16;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₆ClN₃O₃S
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	2

ZAP Information [?]

Total:	8.70813
Area:	490.786
Solvation:	-3.56152
Coulombic:	-34.2138

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	317.793
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	0.44
LogP (Chemaxon):	1.01

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