ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4113684

Chemical ID:

4113684

Name [?]:

N-norbornan-2-yl-2-phenyl-acetamide

SMILES [?]:

c1ccc(cc1)CC(=O)NC2CC3CCC2C3

InChi [?]:

InChI=1/C15H19NO/c17-15(10-11-4-2-1-3-5-11)16-14-9-12-6-7-13(14)8-12/h1-5,12-14H,6-10H2,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,14,15,17,12,7,4,13,16,11,8,10,9/E:(2,3)(4,5)/rA:17cCCCCCCCCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₉NO
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	3

ZAP Information [?]

Total:	8.37105
Area:	416.89
Solvation:	-2.05119
Coulombic:	-22.1732

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	229.318
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.96
LogP (Chemaxon):	2.48

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