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Chemical ID: 7300433

Chemical ID:

7300433

Name [?]:

(2,3-dimethylphenyl)carbamoylmethyl cyclopropanecarboxylate

SMILES [?]:

Cc1cccc(c1C)NC(=O)COC(=O)C2CC2

InChi [?]:

InChI=1/C14H17NO3/c1-9-4-3-5-12(10(9)2)15-13(16)8-18-14(17)11-6-7-11/h3-5,11H,6-8H2,1-2H3,(H,15,16)

InChi Info:

AuxInfo=1/1/N:1,8,4,3,5,17,18,12,2,7,16,6,10,14,9,11,15,13/E:(6,7)/rA:18nCCCCCCCCNCOCOCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;s16s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₇NO₃
All Atoms:	35
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.16803
Area:	456.317
Solvation:	-3.23991
Coulombic:	-38.8952

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	247.29
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.85
LogP (Chemaxon):	1.92

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