ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7636228

Chemical ID:

7636228

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)ccc3c2nc4ccccc4c3C(=O)O

InChi [?]:

InChI=1/C18H11NO2/c20-18(21)16-13-7-3-4-8-15(13)19-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-10H,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,15,14,6,3,16,13,7,8,5,4,17,9,12,18,10,19,11,20,21/E:(20,21)/rA:21nCCCCCCCCCCNCCCCCCCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;d13;s14;d15;s12s16;s9d17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₁NO₂
All Atoms:	32
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	9.02731
Area:	441.283
Solvation:	-2.00476
Coulombic:	-35.6116

Bond Count [?]

All:	24
Single:	14
Double:	10
Rotors:	1
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.36
LogP (Chemaxon):	None

Name Annotations

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

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