Chemical ID: 7741654

c1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)C4CC4
Chemical ID:
7741654
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)C4CC4
InChi [?]:
InChI=1/C17H19NO3/c19-14-11-17(21-15-4-2-1-3-13(14)15)7-9-18(10-8-17)16(20)12-5-6-12/h1-4,12H,5-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,20,21,12,16,13,15,9,19,5,7,4,17,10,14,8,18,11/E:(5,6)(7,8)(9,10)/rA:21nCCCCCCCOCCOCCNCCCOCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4s10;s10;s12;s13;s14;s10s15;s14;d17;s17;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO3
All Atoms:40
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:8.09226
Area:458.971
Solvation:-3.38202
Coulombic:-31.6675
Bond Count [?]
All:24
Single:19
Double:5
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.78
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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