ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7714878

Chemical ID:

7714878

Name [?]:

None

SMILES [?]:

CCc1ccc2c(c1)c(c(o2)C(=O)NCc3ccncc3)C

InChi [?]:

InChI=1/C18H18N2O2/c1-3-13-4-5-16-15(10-13)12(2)17(22-16)18(21)20-11-14-6-8-19-9-7-14/h4-10H,3,11H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,22,2,4,5,17,21,18,20,8,15,9,3,16,7,6,10,12,19,14,13,11/E:(6,7)(8,9)/rA:22nCCCCCCCCCCOCONCCCCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈N₂O₂
All Atoms:	40
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	10.4186
Area:	516.17
Solvation:	-2.48565
Coulombic:	-36.8341

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.99
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