Chemical ID: 4410898

CCC(=O)NC(c1ccco1)c2cc(c3cccnc3c2O)[N+](=O)[O-]
Chemical ID:
4410898
Name [?]:
N-[2-furyl-(8-hydroxy-5-nitro-7-quinolyl)-methyl]propanamide
SMILES [?]:
CCC(=O)NC(c1ccco1)c2cc(c3cccnc3c2O)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H15N3O5/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,9,16,8,18,10,13,15,12,14,7,3,6,20,21,19,5,23,4,22,24,25,11/E:(23,24)/CRV:20.5/rA:25cCCCONCCCCCOCCCCCCCNCCON+OO-/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s7s10;s6;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s21;s14;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:4.12275
Area:532.157
Solvation:-9.18117
Coulombic:-58.7508
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:341.318
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.41
LogP (Chemaxon):2.17

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