Chemical ID: 6509697

CC(C)(C)OC(=O)N1Cc2c(c3ccccc3[nH]2)CC1C(=O)O
Chemical ID:
6509697
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)N1Cc2c(c3ccccc3[nH]2)CC1C(=O)O
InChi [?]:
InChI=1/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13-11(8-14(19)15(20)21)10-6-4-5-7-12(10)18-13/h4-7,14,18H,8-9H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,15,13,16,19,9,12,11,17,10,20,21,6,2,18,8,22,23,7,5/E:(1,2,3)(20,21)/rA:23cCCCCOCONCCCCCCCCCNCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s11;s8s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.20513
Area:492.77
Solvation:-3.11413
Coulombic:-67.2627
Bond Count [?]
All:25
Single:19
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:316.352
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.45
LogP (Chemaxon):2.58

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Descriptor Annotations

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