Chemical ID: 4089921

CC12C=CC(O1)(C3C2C(=O)N(C3=O)c4ccc(cc4)OC)C
Chemical ID:
4089921
Name [?]:
None
SMILES [?]:
CC12C=CC(O1)(C3C2C(=O)N(C3=O)c4ccc(cc4)OC)C
InChi [?]:
InChI=1/C17H17NO4/c1-16-8-9-17(2,22-16)13-12(16)14(19)18(15(13)20)10-4-6-11(21-3)7-5-10/h4-9,12-13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,21,15,19,16,18,3,4,14,17,8,7,9,12,2,5,11,10,13,20,6/E:(1,2)(4,5)(6,7)(8,9)(12,13)(14,15)(16,17)(19,20)/rA:22cCCCCCOCCCONCOCCCCCCOCC/rB:s1;s2;d3;s4;s2s5;s5;s2s7;s8;d9;s9;s7s11;d12;s11;s14;d15;s16;d17;d14s18;s17;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:4
ZAP Information [?]
Total:7.28425
Area:463.715
Solvation:-4.30861
Coulombic:-39.0081
Bond Count [?]
All:25
Single:19
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:299.321
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.81
LogP (Chemaxon):0.92

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Descriptor Annotations

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