Chemical ID: 4168689

c1ccc2c(c1)c3c([nH]2)C(NCC3)c4cccc(c4)[N+](=O)[O-]
Chemical ID:
4168689
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C(NCC3)c4cccc(c4)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H15N3O2/c21-20(22)12-5-3-4-11(10-12)16-17-14(8-9-18-16)13-6-1-2-7-15(13)19-17/h1-7,10,16,18-19H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,6,3,13,12,19,14,18,5,7,4,10,8,11,9,20,21,22/E:(21,22)/CRV:20.5/rA:22cCCCCCCCCNCNCCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s10;s14;d15;s16;d17;d14s18;s18;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:5.12871
Area:476.188
Solvation:-6.776
Coulombic:-33.5857
Bond Count [?]
All:25
Single:17
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:293.32
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.8
LogP (Chemaxon):3.52

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Descriptor Annotations

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