Chemical ID: 4811429

CCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)[N+](=O)[O-]
Chemical ID:
4811429
Name [?]:
None
SMILES [?]:
CCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)[N+](=O)[O-]
InChi [?]:
InChI=1/C19H14N2O5/c1-2-20-16(11-7-9-12(10-8-11)21(24)25)15-17(22)13-5-3-4-6-14(13)26-18(15)19(20)23/h3-10,16H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,11,9,12,19,23,20,22,18,21,8,13,5,4,6,15,16,3,24,7,17,25,26,14/E:(7,8)(9,10)(24,25)/CRV:21.5/rA:26cCCNCCCOCCCCCCOCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;d5s14;s3s15;d16;s4;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:4.50898
Area:521.292
Solvation:-8.52332
Coulombic:-47.0561
Bond Count [?]
All:29
Single:19
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.325
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.61
LogP (Chemaxon):2.95

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Descriptor Annotations

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