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Chemical ID: 3966969

Chemical ID:

3966969

Name [?]:

(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 3-hydroxy-2-phenyl-propanoate

SMILES [?]:

CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3

InChi [?]:

InChI=1/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,19,18,20,17,21,4,5,9,7,14,16,3,6,8,13,11,2,15,12,10/E:(3,4)(5,6)(7,8)(9,10)(13,14)/rA:21cCNCCCCCCCOCOCCOCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s3s8;s8;s10;d11;s11;s13;s14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₃NO₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	3

ZAP Information [?]

Total:	8.31947
Area:	479.974
Solvation:	-3.67988
Coulombic:	-40.9734

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	289.369
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.83
LogP (Chemaxon):	1.71

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