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Chemical ID: 7286328

Chemical ID:

7286328

Name [?]:

p-tolylcarbamoylmethyl 2-methylcyclopropane-1-carboxylate

SMILES [?]:

Cc1ccc(cc1)NC(=O)COC(=O)C2CC2C

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,18,3,7,4,6,16,11,2,17,5,15,9,13,8,10,14,12/E:(3,4)(5,6)/rA:18cCCCCCCCNCOCOCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s15s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₇NO₃
All Atoms:	35
Heavy Atoms:	18
Chiral Atoms:	2

ZAP Information [?]

Total:	8.24262
Area:	456.579
Solvation:	-3.17186
Coulombic:	-39.274

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:	2.13
LogP (Chemaxon):	2.43

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