Chemical ID: 4569194

CC1c2c(c3ccccc3[nH]2)CC(N1C(=O)C)C(=O)OC
Chemical ID:
4569194
Name [?]:
None
SMILES [?]:
CC1c2c(c3ccccc3[nH]2)CC(N1C(=O)C)C(=O)OC
InChi [?]:
InChI=1/C16H18N2O3/c1-9-15-12(11-6-4-5-7-13(11)17-15)8-14(16(20)21-3)18(9)10(2)19/h4-7,9,14,17H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,21,7,8,6,9,12,2,15,5,4,10,13,3,18,11,14,16,19,20/rA:21cCCCCCCCCCCNCCNCOCCOOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s4;s12;s2s13;s14;d15;s15;s13;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:7.68558
Area:457.51
Solvation:-3.75217
Coulombic:-44.9031
Bond Count [?]
All:23
Single:17
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.326
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.82
LogP (Chemaxon):1.57

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Descriptor Annotations

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