Chemical ID: 3967315

c1c2c(cc3c1OCO3)C4C(C(C=C5C4N(C2)CC5)O)O
Chemical ID:
3967315
Name [?]:
None
SMILES [?]:
c1c2c(cc3c1OCO3)C4C(C(C=C5C4N(C2)CC5)O)O
InChi [?]:
InChI=1/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2
InChi Info:
AuxInfo=1/0/N:19,18,13,1,4,17,8,14,2,3,12,6,5,10,15,11,16,20,21,7,9/rA:21cCCCCCCOCOCCCCCCNCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s5s8;s3;s10;s11;s12;d13;s10s14;s15;s2s16;s16;s14s18;s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:5
ZAP Information [?]
Total:5.86592
Area:418.082
Solvation:-4.58613
Coulombic:-55.2649
Bond Count [?]
All:25
Single:21
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:287.311
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.36
LogP (Chemaxon):0.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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