Chemical ID: 4259055

Cc1nc2c(o1)CCc3ccccc3C2O
Chemical ID:
4259055
Name [?]:
None
SMILES [?]:
Cc1nc2c(o1)CCc3ccccc3C2O
InChi [?]:
InChI=1/C13H13NO2/c1-8-14-12-11(16-8)7-6-9-4-2-3-5-10(9)13(12)15/h2-5,13,15H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,8,7,2,9,14,5,4,15,3,16,6/rA:16cCCNCCOCCCCCCCCCO/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s4s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.00818
Area:372.911
Solvation:-2.31459
Coulombic:-30.7913
Bond Count [?]
All:18
Single:13
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:215.248
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.09
LogP (Chemaxon):1.85

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Descriptor Annotations

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