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Chemical ID: 4123200

Chemical ID:

4123200

Name [?]:

4-indolin-1-ylsulfonylaniline

SMILES [?]:

c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)N

InChi [?]:

InChI=1/C14H14N2O2S/c15-12-5-7-13(8-6-12)19(17,18)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10,15H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,15,17,14,18,7,8,5,16,13,4,19,9,11,12,10/E:(5,6)(7,8)(17,18)/CRV:19.6/rA:19cCCCCCCCCNSOOCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄N₂O₂S
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	8.6663
Area:	433.777
Solvation:	-2.17812
Coulombic:	-24.7761

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	274.339
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.81
LogP (Chemaxon):	2.05

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