Chemical ID: 4120757

c1cc2cc3c(nc2nc1)CCN(C3)C(=O)CCC(=O)O
Chemical ID:
4120757
Name [?]:
None
SMILES [?]:
c1cc2cc3c(nc2nc1)CCN(C3)C(=O)CCC(=O)O
InChi [?]:
InChI=1/C15H15N3O3/c19-13(3-4-14(20)21)18-7-5-12-11(9-18)8-10-2-1-6-16-15(10)17-12/h1-2,6,8H,3-5,7,9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,11,10,12,4,14,3,5,6,15,19,8,9,7,13,16,20,21/E:(20,21)/rA:21nCCCCCCNCNCCCNCCOCCCOO/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s6;s11;s12;s5s13;s13;d15;s15;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.69714
Area:474.374
Solvation:-4.16221
Coulombic:-50.1855
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:285.298
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.07
LogP (Chemaxon):0.33

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