Chemical ID: 5180059

CC(C)(C)C1CCc2c(c3ccccc3n2C)C1
Chemical ID:
5180059
Name [?]:
9-methyl-3-tert-butyl-1,2,3,4-tetrahydrocarbazole
SMILES [?]:
CC(C)(C)C1CCc2c(c3ccccc3n2C)C1
InChi [?]:
InChI=1/C17H23N/c1-17(2,3)12-9-10-16-14(11-12)13-7-5-6-8-15(13)18(16)4/h5-8,12H,9-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,12,13,11,14,6,7,18,5,10,9,15,8,2,16/E:(1,2,3)/rA:18cCCCCCCCCCCCCCCCNCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s16;s5s9;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23N
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.47937
Area:423.416
Solvation:-1.10602
Coulombic:-8.05099
Bond Count [?]
All:20
Single:16
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:241.371
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.43
LogP (Chemaxon):5.03

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