Chemical ID: 4568840

c1ccc2c(c1)c(ccn2)C=O
Chemical ID:
4568840
Name [?]:
quinoline-4-carbaldehyde
SMILES [?]:
c1ccc2c(c1)c(ccn2)C=O
InChi [?]:
InChI=1/C10H7NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,9,11,7,5,4,10,12/rA:12nCCCCCCCCCNCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s7;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7NO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.36545
Area:313.526
Solvation:-2.4727
Coulombic:-12.6469
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

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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