Chemical ID: 4852295

c1ccc2c(c1)c-3nncc3co2
Chemical ID:
4852295
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c-3nncc3co2
InChi [?]:
InChI=1/C10H6N2O/c1-2-4-9-8(3-1)10-7(6-13-9)5-11-12-10/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,12,11,5,4,7,9,8,13/rA:13nCCCCCCCNNCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;d11;s4s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6N2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.70805
Area:315.845
Solvation:-2.18808
Coulombic:-10.6728
Bond Count [?]
All:15
Single:9
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:170.168
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.59
LogP (Chemaxon):1.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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