Chemical ID: 4466671

Cc1cccc(c1)C2C3C4CCC(C4)C3c5cc(ccc5N2)[N+](=O)[O-]
Chemical ID:
4466671
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)C2C3C4CCC(C4)C3c5cc(ccc5N2)[N+](=O)[O-]
InChi [?]:
InChI=1/C21H22N2O2/c1-12-3-2-4-15(9-12)21-20-14-6-5-13(10-14)19(20)17-11-16(23(24)25)7-8-18(17)22-21/h2-4,7-9,11,13-14,19-22H,5-6,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,12,11,19,20,7,14,17,2,13,10,6,18,16,21,15,9,8,22,23,24,25/E:(24,25)/CRV:23.5/rA:25cCCCCCCCCCCCCCCCCCCCCCNN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s10s13;s9s13;s15;s16;d17;s18;d19;d16s20;s8s21;s18;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:5
ZAP Information [?]
Total:6.18246
Area:502.257
Solvation:-6.37396
Coulombic:-25.8447
Bond Count [?]
All:29
Single:22
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:334.412
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.6
LogP (Chemaxon):5.05

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Descriptor Annotations

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