Chemical ID: 7681392

CCOC(=O)c1c(n(c2c1cc(cc2)O)CC(CO)O)C
Chemical ID:
7681392
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(n(c2c1cc(cc2)O)CC(CO)O)C
InChi [?]:
InChI=1/C15H19NO5/c1-3-21-15(20)14-9(2)16(7-11(19)8-17)13-5-4-10(18)6-12(13)14/h4-6,11,17-19H,3,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,13,14,11,16,18,7,12,17,10,9,6,4,8,19,15,20,5,3/rA:21cCCOCOCCNCCCCCCOCCCOOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6s9;d10;s11;d12;d9s13;s12;s8;s16;s17;s18;s17;s7;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19NO5
All Atoms:40
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:6.35285
Area:499.926
Solvation:-6.1453
Coulombic:-72.8501
Bond Count [?]
All:22
Single:17
Double:5
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.21
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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