Chemical ID: 3990910

c1cc2cc(ccc2nc1)C=O
Chemical ID:
3990910
Name [?]:
quinoline-6-carbaldehyde
SMILES [?]:
c1cc2cc(ccc2nc1)C=O
InChi [?]:
InChI=1/C10H7NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,7,10,4,11,5,3,8,9,12/rA:12nCCCCCCCCNCCO/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s5;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7NO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.19766
Area:315.366
Solvation:-2.6865
Coulombic:-12.4518
Bond Count [?]
All:13
Single:7
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:157.169
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.82
LogP (Chemaxon):1.81

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Experimental Annotations

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Descriptor Annotations

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