Chemical ID: 6737463

COc1ccc(cc1OC)N2C(=O)C3C4CC(C3C2=O)C=C4
Chemical ID:
6737463
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)N2C(=O)C3C4CC(C3C2=O)C=C4
InChi [?]:
InChI=1/C17H17NO4/c1-21-12-6-5-11(8-13(12)22-2)18-16(19)14-9-3-4-10(7-9)15(14)17(18)20/h3-6,8-10,14-15H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,21,22,5,4,16,7,17,15,6,3,8,18,14,19,12,11,20,13,2,9/E:(3,4)(9,10)(14,15)(16,17)(19,20)/rA:22cCOCCCCCCOCNCOCCCCCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;s14s17;s11s18;d19;s17;s15d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO4
All Atoms:39
Heavy Atoms:22
Chiral Atoms:4
ZAP Information [?]
Total:5.78808
Area:466.938
Solvation:-5.88536
Coulombic:-37.6247
Bond Count [?]
All:25
Single:19
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:299.321
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.27
LogP (Chemaxon):1.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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