ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7685036

Chemical ID:

7685036

Name [?]:

None

SMILES [?]:

CCCC(=O)NCCc1c[nH]c2c1cc(cc2)C

InChi [?]:

InChI=1/C15H20N2O/c1-3-4-15(18)16-8-7-12-10-17-14-6-5-11(2)9-13(12)14/h5-6,9-10,17H,3-4,7-8H2,1-2H3,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,18,2,3,16,17,8,7,14,10,15,9,13,12,4,6,11,5/rA:18nCCCCONCCCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;s11;s9s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₀N₂O
All Atoms:	38
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	9.37178
Area:	468.564
Solvation:	-2.34232
Coulombic:	-31.9056

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.91
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