Chemical ID: 5574598

COc1cc2c(cc1O)C3Cc4cc(c(cc4CN3CC2)OC)O
Chemical ID:
5574598
Name [?]:
None
SMILES [?]:
COc1cc2c(cc1O)C3Cc4cc(c(cc4CN3CC2)OC)O
InChi [?]:
InChI=1/C19H21NO4/c1-23-18-7-11-3-4-20-10-13-8-19(24-2)16(21)6-12(13)5-15(20)14(11)9-17(18)22/h6-9,15,21-22H,3-5,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,21,20,11,13,4,16,7,18,5,12,17,6,10,14,8,3,15,19,24,9,2,22/rA:24cCOCCCCCCOCCCCCCCCCNCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;s11;s12;d13;s14;d15;d12s16;s17;s10s18;s19;s5s20;s15;s22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:6.11281
Area:503.758
Solvation:-6.48115
Coulombic:-51.1361
Bond Count [?]
All:27
Single:21
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:327.374
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.87
LogP (Chemaxon):2.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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