Chemical ID: 6917028

CCN1c2cc(ccc2N(C(=O)c3c1nccc3)C)[N+](=O)[O-]
Chemical ID:
6917028
Name [?]:
None
SMILES [?]:
CCN1c2cc(ccc2N(C(=O)c3c1nccc3)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H14N4O3/c1-3-18-13-9-10(19(21)22)6-7-12(13)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,17,18,7,8,16,5,6,13,9,4,14,11,15,10,3,20,12,21,22/E:(21,22)/CRV:19.5/rA:22nCCNCCCCCCNCOCCNCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s3s13;d14;s15;d16;d13s17;s10;s6;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N4O3
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:4.17556
Area:464.607
Solvation:-7.43961
Coulombic:-39.3964
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:298.297
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.68
LogP (Chemaxon):2.01

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Descriptor Annotations

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