Chemical ID: 6454947

CCOc1ccc2c(c1)OC3(CC2C(=C(C)O)C(=O)N3)C
Chemical ID:
6454947
Name [?]:
None
SMILES [?]:
CCOc1ccc2c(c1)OC3(CC2C(=C(C)O)C(=O)N3)C
InChi [?]:
InChI=1/C16H19NO4/c1-4-20-10-5-6-11-12-8-16(3,21-13(11)7-10)17-15(19)14(12)9(2)18/h5-7,12,18H,4,8H2,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,16,21,2,5,6,9,12,15,4,7,13,8,14,18,11,20,17,19,3,10/rA:21cCCOCCCCCCOCCCCCCOCONC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s7s12;s13;w14;s15;s15;s14;d18;s11s18;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:5.95555
Area:456.901
Solvation:-5.46697
Coulombic:-49.7538
Bond Count [?]
All:23
Single:18
Double:5
Rotors:2
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:289.326
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.15
LogP (Chemaxon):0.88

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Descriptor Annotations

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