Chemical ID: 3964393

c1cc2c(cc[nH]2)cc1C=O
Chemical ID:
3964393
Name [?]:
1H-indole-5-carbaldehyde
SMILES [?]:
c1cc2c(cc[nH]2)cc1C=O
InChi [?]:
InChI=1/C9H7NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-6,10H
InChi Info:
AuxInfo=1/0/N:1,2,5,6,8,10,9,4,3,7,11/rA:11nCCCCCCNCCCO/rB:s1;d2;s3;s4;d5;s3s6;d4;d1s8;s9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7NO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.15036
Area:300.349
Solvation:-2.35836
Coulombic:-18.0879
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

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