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Chemical ID: 4736658

Chemical ID:

4736658

Name [?]:

N-(2-nitro-4-propyl-phenyl)acetamide

SMILES [?]:

CCCc1ccc(c(c1)[N+](=O)[O-])NC(=O)C

InChi [?]:

InChI=1/C11H14N2O3/c1-3-4-9-5-6-10(12-8(2)14)11(7-9)13(15)16/h5-7H,3-4H2,1-2H3,(H,12,14)

InChi Info:

AuxInfo=1/1/N:1,16,2,3,5,6,9,14,4,7,8,13,10,15,11,12/E:(15,16)/CRV:13.5/rA:16nCCCCCCCCCN+OO-NCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s7;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₄N₂O₃
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	4.42154
Area:	407.853
Solvation:	-5.77479
Coulombic:	-34.1468

Bond Count [?]

All:	16
Single:	11
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	222.241
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.16
LogP (Chemaxon):	2.59

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