Chemical ID: 3965386

c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)[N+](=O)[O-])CC(=O)N2
Chemical ID:
3965386
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)[N+](=O)[O-])CC(=O)N2
InChi [?]:
InChI=1/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,13,10,19,11,5,9,8,4,14,20,7,22,15,16,21,17,18/E:(21,22)/CRV:19.5/rA:22nCCCCCCCCCCCCCCNN+OO-CCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s11;d16;s16;s8;s19;d20;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11N3O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:3.80046
Area:459.76
Solvation:-7.69353
Coulombic:-42.4083
Bond Count [?]
All:25
Single:16
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:293.277
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.58
LogP (Chemaxon):2.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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