Chemical ID: 7708639

Cc1ccc(c(c1)C)Nc2ccc(cc2[N+](=O)[O-])C(=O)O
Chemical ID:
7708639
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)Nc2ccc(cc2[N+](=O)[O-])C(=O)O
InChi [?]:
InChI=1/C15H14N2O4/c1-9-3-5-12(10(2)7-9)16-13-6-4-11(15(18)19)8-14(13)17(20)21/h3-8,16H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,3,12,4,11,7,14,2,6,13,5,10,15,19,9,16,20,21,17,18/E:(18,19)(20,21)/CRV:17.5/rA:21nCCCCCCCCNCCCCCCN+OO-COO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s13;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O4
All Atoms:35
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:3.7359
Area:468.991
Solvation:-7.98888
Coulombic:-49.0251
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:3.92
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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