ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7679367

Chemical ID:

7679367

Name [?]:

None

SMILES [?]:

CC1CCCC(N1CC(Cn2cc(c3c2cccc3)CO)O)C

InChi [?]:

InChI=1/C19H28N2O2/c1-14-6-5-7-15(2)21(14)12-17(23)11-20-10-16(13-22)18-8-3-4-9-19(18)20/h3-4,8-10,14-15,17,22-23H,5-7,11-13H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,23,18,17,4,3,5,19,16,12,10,8,20,2,6,13,9,14,15,11,7,21,22/E:(1,2)(6,7)(14,15)/rA:23cCCCCCCNCCCNCCCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;d12;s13;s11s14;d15;s16;d17;d14s18;s13;s20;s9;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₈N₂O₂
All Atoms:	51
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	8.35845
Area:	516.125
Solvation:	-4.54468
Coulombic:	-44.4107

Bond Count [?]

All:	25
Single:	21
Double:	4
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.55
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value