Chemical ID: 4712783

c1ccc2c(c1)-c3c(c[nH]n3)CO2
Chemical ID:
4712783
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3c(c[nH]n3)CO2
InChi [?]:
InChI=1/C10H8N2O/c1-2-4-9-8(3-1)10-7(6-13-9)5-11-12-10/h1-5H,6H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,9,12,8,5,4,7,10,11,13/rA:13nCCCCCCCCCNNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d7s10;s8;s4s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.49739
Area:316.916
Solvation:-2.4255
Coulombic:-18.0913
Bond Count [?]
All:15
Single:10
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:172.183
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.17
LogP (Chemaxon):1.93

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