Chemical ID: 5228240

Cc1cn(c2c1-c3c(cno3)CC2)C
Chemical ID:
5228240
Name [?]:
None
SMILES [?]:
Cc1cn(c2c1-c3c(cno3)CC2)C
InChi [?]:
InChI=1/C11H12N2O/c1-7-6-13(2)9-4-3-8-5-12-14-11(8)10(7)9/h5-6H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,12,13,9,3,2,8,5,6,7,10,4,11/rA:14nCCCNCCCCCNOCCC/rB:s1;d2;s3;s4;s2d5;s6;d7;s8;d9;s7s10;s8;s5s12;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.2967
Area:341.964
Solvation:-2.2524
Coulombic:-8.1696
Bond Count [?]
All:16
Single:12
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:188.226
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.69
LogP (Chemaxon):1.77

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Experimental Annotations

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Descriptor Annotations

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