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Chemical ID: 6335076

Chemical ID:

6335076

Name [?]:

6-(hexylcarbamoyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid

SMILES [?]:

CCCCCCNC(=O)C1C2CC(C1C(=O)O)C=C2

InChi [?]:

InChI=1/C15H23NO3/c1-2-3-4-5-8-16-14(17)12-10-6-7-11(9-10)13(12)15(18)19/h6-7,10-13H,2-5,8-9H2,1H3,(H,16,17)(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,5,19,18,6,12,11,13,10,14,8,15,7,9,16,17/E:(18,19)/rA:19cCCCCCCNCOCCCCCCOOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s10s13;s14;d15;s15;s13;s11d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₃NO₃
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	4

ZAP Information [?]

Total:	8.81792
Area:	468.603
Solvation:	-2.89715
Coulombic:	-47.7228

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	265.348
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.54
LogP (Chemaxon):	1.92

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