ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4918296

Chemical ID:

4918296

Name [?]:

None

SMILES [?]:

COC(=O)N1CC2CC=CC(C2)c3c1cccc3

InChi [?]:

InChI=1/C15H17NO2/c1-18-15(17)16-10-11-5-4-6-12(9-11)13-7-2-3-8-14(13)16/h2-4,6-8,11-12H,5,9-10H2,1H3

InChi Info:

AuxInfo=1/0/N:1,17,16,9,8,10,18,15,12,6,7,11,13,14,3,5,4,2/rA:18cCOCONCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;s7s11;s11;s5s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₇NO₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	2

ZAP Information [?]

Total:	8.2576
Area:	396.079
Solvation:	-1.64437
Coulombic:	-31.2672

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	243.301
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.78
LogP (Chemaxon):	2.91

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

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Chemical Mix	Source	External ID	Descriptor	Value