Chemical ID: 4581191

Cc1cc(=O)oc2c1ccc3c2CN(CO3)C(C)c4ccccc4
Chemical ID:
4581191
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1ccc3c2CN(CO3)C(C)c4ccccc4
InChi [?]:
InChI=1/C20H19NO3/c1-13-10-19(22)24-20-16(13)8-9-18-17(20)11-21(12-23-18)14(2)15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,22,21,23,20,24,9,10,3,13,15,2,17,19,8,12,11,4,7,14,5,16,6/E:(4,5)(6,7)/rA:24cCCCCOOCCCCCCCNCOCCCCCCCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;s13;s14;s11s15;s14;s17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:9.17661
Area:507.999
Solvation:-3.52337
Coulombic:-33.0766
Bond Count [?]
All:27
Single:19
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:321.37
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.96
LogP (Chemaxon):4.59

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Descriptor Annotations

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