Chemical ID: 4918711

CC1=C[NH2+]c2c1cccc2
Chemical ID:
4918711
Name [?]:
3-methylindole
SMILES [?]:
CC1=C[NH2+]c2c1cccc2
InChi [?]:
InChI=1/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,3,2,6,5,4/rA:10nCCCN+CCCCCC/rB:s1;d2;s3;s4;s2s5;d6;s7;d8;d5s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N+
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-26.9315
Area:282.349
Solvation:-33.9902
Coulombic:34.6823
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:132.182
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.32
LogP (Chemaxon):1.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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