Chemical ID: 5133101

c1c2c(cc3c1OCO3)nnn(c2=O)CCC4=CCC(=O)CC4
Chemical ID:
5133101
Name [?]:
None
SMILES [?]:
c1c2c(cc3c1OCO3)nnn(c2=O)CCC4=CCC(=O)CC4
InChi [?]:
InChI=1/C16H15N3O4/c20-11-3-1-10(2-4-11)5-6-19-16(21)12-7-14-15(23-9-22-14)8-13(12)17-18-19/h1,7-8H,2-6,9H2
InChi Info:
AuxInfo=1/0/N:18,23,19,22,16,15,1,4,8,17,20,2,3,6,5,13,10,11,12,21,14,7,9/rA:23nCCCCCCOCONNNCOCCCCCCOCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s5s8;s3;d10;s11;s2s12;d13;s12;s15;s16;d17;s18;s19;d20;s20;s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N3O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.04457
Area:503.249
Solvation:-4.53666
Coulombic:-36.5075
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:313.308
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.47
LogP (Chemaxon):1.2

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