Chemical ID: 5248099

c1ccc2c(c1)ccc3c2cc(cc3)C=O
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

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Descriptor Annotations

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