Chemical ID: 4558876

c1ccc2c(c1)c3c([nH]2)CCCC3=O
Chemical ID:
4558876
Name [?]:
1,2,3,9-tetrahydrocarbazol-4-one
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)CCCC3=O
InChi [?]:
InChI=1/C12H11NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-2,4-5,13H,3,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,11,6,3,10,12,5,4,8,13,7,9,14/rA:14nCCCCCCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.63488
Area:337.547
Solvation:-1.80379
Coulombic:-19.1629
Bond Count [?]
All:16
Single:11
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:185.222
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.98
LogP (Chemaxon):1.97

Name Annotations

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Descriptor Annotations

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