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Chemical ID: 6509322

Chemical ID:

6509322

Name [?]:

1-(1-naphthylsulfonylamino)guanidine

SMILES [?]:

c1ccc2c(c1)cccc2S(=O)(=O)NNC(=N)N

InChi [?]:

InChI=1/C11H12N4O2S/c12-11(13)14-15-18(16,17)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,15H,(H4,12,13,14)

InChi Info:

AuxInfo=1/1/N:1,2,8,6,7,3,9,5,4,10,16,17,18,15,14,12,13,11/E:(12,13)(16,17)/CRV:18.6/rA:18nCCCCCCCCCCSOONNCNN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;d11;s11;s14;s15;w16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₂N₄O₂S
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	7.48108
Area:	408.276
Solvation:	-2.72582
Coulombic:	-47.4701

Bond Count [?]

All:	19
Single:	11
Double:	8
Rotors:	4
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	264.305
H-Bond Donors:	5
H-Bond Acceptors:	6
XLogP:	2.61
LogP (Chemaxon):	1.11

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value