Chemical ID: 6207832

CC(=O)Oc1ccc(cc1)N2C(=O)C3C4CCC(C4)C3C2=O
Chemical ID:
6207832
Name [?]:
None
SMILES [?]:
CC(=O)Oc1ccc(cc1)N2C(=O)C3C4CCC(C4)C3C2=O
InChi [?]:
InChI=1/C17H17NO4/c1-9(19)22-13-6-4-12(5-7-13)18-16(20)14-10-2-3-11(8-10)15(14)17(18)21/h4-7,10-11,14-15H,2-3,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,7,9,6,10,19,2,15,18,8,5,14,20,12,21,11,3,13,22,4/E:(2,3)(4,5)(6,7)(10,11)(14,15)(16,17)(20,21)/rA:22cCCOOCCCCCCNCOCCCCCCCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;s15s18;s14s18;s11s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:4
ZAP Information [?]
Total:7.81349
Area:464.96
Solvation:-3.8105
Coulombic:-40.5092
Bond Count [?]
All:25
Single:19
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:299.321
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.01
LogP (Chemaxon):1.53

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Descriptor Annotations

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