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Chemical ID: 6472235
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
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Experimental Annotations
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Descriptor Annotations
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