Chemical ID: 4573995

C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4
Chemical ID:
4573995
Name [?]:
None
SMILES [?]:
C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4
InChi [?]:
InChI=1/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,10,3,13,8,12,9,5,14,7,4,15,16/rA:16cCCCNCCCCCCCCCCOO/rB:s1;s2;s3;s4;s1s5;s5;s7;s4s8;s9;d10;s7s11;d12;s13;d14;s7s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:4
ZAP Information [?]
Total:6.79041
Area:355.849
Solvation:-2.10582
Coulombic:-25.2703
Bond Count [?]
All:19
Single:16
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:217.264
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.98
LogP (Chemaxon):0.7

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