Chemical ID: 3964392

c1cc(c2cc[nH]c2c1)C=O
Chemical ID:
3964392
Name [?]:
1H-indole-4-carbaldehyde
SMILES [?]:
c1cc(c2cc[nH]c2c1)C=O
InChi [?]:
InChI=1/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H
InChi Info:
AuxInfo=1/0/N:1,2,9,5,6,10,3,4,8,7,11/rA:11nCCCCCCNCCCO/rB:s1;d2;s3;s4;d5;s6;d4s7;d1s8;s3;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7NO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.17192
Area:297.774
Solvation:-2.27242
Coulombic:-18.2869
Bond Count [?]
All:12
Single:7
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:145.158
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.87
LogP (Chemaxon):2.12

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue