Chemical ID: 4432806

CCOc1ccc(cc1)N2C(=O)C3C4CCC(C4)C3C2=O
Chemical ID:
4432806
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)N2C(=O)C3C4CCC(C4)C3C2=O
InChi [?]:
InChI=1/C17H19NO3/c1-2-21-13-7-5-12(6-8-13)18-16(19)14-10-3-4-11(9-10)15(14)17(18)20/h5-8,10-11,14-15H,2-4,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,16,6,8,5,9,18,14,17,7,4,13,19,11,20,10,12,21,3/E:(3,4)(5,6)(7,8)(10,11)(14,15)(16,17)(19,20)/rA:21cCCOCCCCCCNCOCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s14s17;s13s17;s10s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:4
ZAP Information [?]
Total:7.49725
Area:452.635
Solvation:-3.81863
Coulombic:-31.1363
Bond Count [?]
All:24
Single:19
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:285.338
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.57
LogP (Chemaxon):2.12

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Descriptor Annotations

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