Chemical ID: 7708644

Cc1cc(cc(c1)Nc2ccc(cc2[N+](=O)[O-])C(=O)O)C
Chemical ID:
7708644
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1)Nc2ccc(cc2[N+](=O)[O-])C(=O)O)C
InChi [?]:
InChI=1/C15H14N2O4/c1-9-5-10(2)7-12(6-9)16-13-4-3-11(15(18)19)8-14(13)17(20)21/h3-8,16H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,11,10,3,7,5,13,2,4,12,6,9,14,18,8,15,19,20,16,17/E:(1,2)(6,7)(9,10)(18,19)(20,21)/CRV:17.5/rA:21nCCCCCCCNCCCCCCN+OO-COOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s12;d18;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O4
All Atoms:35
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:3.85035
Area:472.61
Solvation:-7.96491
Coulombic:-49.0042
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.14
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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