ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7572016

Chemical ID:

7572016

Name [?]:

None

SMILES [?]:

CC(=O)N1CCC(=C2c3ccccc3CCc4c2nccc4)CC1

InChi [?]:

InChI=1/C21H22N2O/c1-15(24)23-13-10-17(11-14-23)20-19-7-3-2-5-16(19)8-9-18-6-4-12-22-21(18)20/h2-7,12H,8-11,13-14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,12,11,21,13,22,10,15,16,6,23,20,5,24,2,14,7,17,9,8,18,19,4,3/E:(10,11)(13,14)/rA:24nCCONCCCCCCCCCCCCCCNCCCCC/rB:s1;d2;s2;s4;s5;s6;d7;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;s8s17;d18;s19;d20;d17s21;s7;s4s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₂N₂O
All Atoms:	46
Heavy Atoms:	24
Chiral Atoms:	None

ZAP Information [?]

Total:	9.64799
Area:	500.188
Solvation:	-2.85671
Coulombic:	-21.5634

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	1
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.6
LogP (Chemaxon):	None

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

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

Chemical Mix	Source	External ID	Descriptor	Value