ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7508998

Chemical ID:

7508998

Name [?]:

None

SMILES [?]:

CC(=O)N1CCc2c3ccccc3[nH]c2C1c4ccccc4OC

InChi [?]:

InChI=1/C20H20N2O2/c1-13(23)22-12-11-15-14-7-3-5-9-17(14)21-19(15)20(22)16-8-4-6-10-18(16)24-2/h3-10,20-21H,11-12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,24,10,19,11,20,9,18,12,21,6,5,2,8,7,17,13,22,15,16,14,4,3,23/rA:24cCCONCCCCCCCCCNCCCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d7s14;s4s15;s16;s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀N₂O₂
All Atoms:	44
Heavy Atoms:	24
Chiral Atoms:	None

ZAP Information [?]

Total:	8.33365
Area:	492.165
Solvation:	-3.97047
Coulombic:	-34.8703

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.98
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