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Chemical ID: 6725654

Chemical ID:

6725654

Name [?]:

[amino-(5-bromo-2-oxo-indolin-3-ylidene)aminoamino-methylene]ammonium

SMILES [?]:

c1cc2c(cc1Br)C(=NNC(=[NH2+])N)C(=O)N2

InChi [?]:

InChI=1/C9H8BrN5O/c10-4-1-2-6-5(3-4)7(8(16)13-6)14-15-9(11)12/h1-3H,(H4,11,12,15)(H,13,14,16)/p+1

InChi Info:

AuxInfo=1/1/N:1,2,5,6,4,3,8,14,11,7,12,13,16,9,10,15/E:(11,12)/rA:16nCCCCCCBrCNNCN+NCON/rB:s1;d2;s3;d4;d1s5;s6;s4;w8;s9;s10;d11;s11;s8;d14;s3s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₉H₉BrN₅O+
All Atoms:	25
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	-29.6556
Area:	406.255
Solvation:	-39.812
Coulombic:	-48.2752

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	2
Chiral:	1
Rigid Segments:	2

Chemical Properties

Molecular Weight:	283.105
H-Bond Donors:	6
H-Bond Acceptors:	6
XLogP:	1.29
LogP (Chemaxon):	1.64

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