Chemical ID: 4452939

CCCN1C(=O)c2cccc3c2c(ccc3)C1=O
Chemical ID:
4452939
Name [?]:
None
SMILES [?]:
CCCN1C(=O)c2cccc3c2c(ccc3)C1=O
InChi [?]:
InChI=1/C15H13NO2/c1-2-9-16-14(17)11-7-3-5-10-6-4-8-12(13(10)11)15(16)18/h3-8H,2,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,15,10,16,8,14,3,11,7,13,12,5,17,4,6,18/E:(3,4)(5,6)(7,8)(11,12)(14,15)(17,18)/rA:18nCCCNCOCCCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;d13;s14;s11d15;s4s13;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.3201
Area:399.786
Solvation:-1.67455
Coulombic:-28.962
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:239.269
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.18
LogP (Chemaxon):2.44

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue