ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4541972

Chemical ID:

4541972

Name [?]:

2-hydrazino-N-[(4-methoxyphenyl)methyl]-2-oxo-acetamide

SMILES [?]:

COc1ccc(cc1)CNC(=O)C(=O)NN

InChi [?]:

InChI=1/C10H13N3O3/c1-16-8-4-2-7(3-5-8)6-12-9(14)10(15)13-11/h2-5H,6,11H2,1H3,(H,12,14)(H,13,15)

InChi Info:

AuxInfo=1/1/N:1,5,7,4,8,9,6,3,11,13,16,10,15,12,14,2/E:(2,3)(4,5)/rA:16nCOCCCCCCCNCOCONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₃N₃O₃
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	6.82748
Area:	419.882
Solvation:	-3.66956
Coulombic:	-60.4048

Bond Count [?]

All:	16
Single:	11
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	223.229
H-Bond Donors:	4
H-Bond Acceptors:	6
XLogP:	-0.48
LogP (Chemaxon):	-0.21

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