Chemical ID: 6472235

c1ccc2c(c1)C3CCCCC3C(=O)N2
Chemical ID:
6472235
Name [?]:
6a,7,8,9,10,10a-hexahydro-5H-phenanthridin-6-one
SMILES [?]:
c1ccc2c(c1)C3CCCCC3C(=O)N2
InChi [?]:
InChI=1/C13H15NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h3-4,6,8-9,11H,1-2,5,7H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:9,10,1,2,8,6,11,3,7,5,12,4,13,15,14/rA:15cCCCCCCCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s12;d13;s4s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:7.17238
Area:348.848
Solvation:-1.54883
Coulombic:-21.7188
Bond Count [?]
All:17
Single:13
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:201.264
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.55
LogP (Chemaxon):2.75

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