ChemDB: Chemical Search
Download
Chemical ID: 5248099
Chemical ID:
5248099
Name [?]:
phenanthrene-3-carbaldehyde
SMILES [?]:
c1ccc2c(c1)ccc3c2cc(cc3)C=O
InChi [?]:
InChI=1/C15H10O/c16-10-11-5-6-13-8-7-12-3-1-2-4-14(12)15(13)9-11/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,14,7,8,11,15,12,5,9,4,10,16/rA:16nCCCCCCCCCCCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s12;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.04417 |
Area: | 375.7 |
Solvation: | -2.34834 |
Coulombic: | -9.84743 |
Bond Count [?]
All: | 18 |
Single: | 10 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 206.239 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.25 |
LogP (Chemaxon): | 3.73 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|