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Chemical ID: 7244604

Chemical ID:

7244604

Name [?]:

2-(1-adamantylcarbonylamino)hexanoic acid

SMILES [?]:

CCCCC(C(=O)O)NC(=O)C12CC3CC(C1)CC(C3)C2

InChi [?]:

InChI=1/C17H27NO3/c1-2-3-4-14(15(19)20)18-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,2-10H2,1H3,(H,18,21)(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,15,18,20,17,13,21,16,14,19,5,6,10,12,9,7,8,11/E:(5,6,7)(8,9,10)(11,12,13)(19,20)/rA:21cCCCCCCOONCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₇NO₃
All Atoms:	48
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	9.60334
Area:	482.342
Solvation:	-2.45521
Coulombic:	-49.5208

Bond Count [?]

All:	23
Single:	21
Double:	2
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	293.401
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	4.07
LogP (Chemaxon):	3.08

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