Chemical ID: 6693838

c1cc(c2c3c1CC4C5C3(CCN4)C(O2)C(C=C5)O)O
Chemical ID:
6693838
Name [?]:
None
SMILES [?]:
c1cc(c2c3c1CC4C5C3(CCN4)C(O2)C(C=C5)O)O
InChi [?]:
InChI=1/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2
InChi Info:
AuxInfo=1/0/N:1,18,2,17,11,12,7,6,9,8,3,16,5,4,14,10,13,20,19,15/rA:20cCCCCCCCCCCCCNCOCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s5s9;s10;s11;s8s12;s10;s4s14;s14;s16;s9d17;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:5
ZAP Information [?]
Total:21.7117
Area:0.0
Solvation:21.7117
Coulombic:0.0
Bond Count [?]
All:24
Single:20
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:271.311
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.52
LogP (Chemaxon):0.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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