Chemical ID: 4744098

c1ccc2c(c1)C3=NCCCN3C2=O
Chemical ID:
4744098
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3=NCCCN3C2=O
InChi [?]:
InChI=1/C11H10N2O/c14-11-9-5-2-1-4-8(9)10-12-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,10,6,3,9,11,5,4,7,13,8,12,14/rA:14nCCCCCCCNCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;s10;s7s11;s4s12;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.6233
Area:338.887
Solvation:-1.84888
Coulombic:-23.1383
Bond Count [?]
All:16
Single:11
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:186.21
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.49
LogP (Chemaxon):0.92

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Descriptor Annotations

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