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Chemical ID: 6815230
Chemical ID:
6815230
Name [?]:
9-benzyl-3-bromo-carbazole
SMILES [?]:
c1ccc(cc1)Cn2c3ccccc3c4c2ccc(c4)Br
InChi [?]:
InChI=1/C19H14BrN/c20-15-10-11-19-17(12-15)16-8-4-5-9-18(16)21(19)13-14-6-2-1-3-7-14/h1-12H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,3,5,13,10,18,17,20,7,4,19,14,15,9,16,21,8/E:(2,3)(6,7)/rA:21nCCCCCCCNCCCCCCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s8s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14BrN |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1505 |
Area: | 467.491 |
Solvation: | -1.53676 |
Coulombic: | -9.9361 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 336.225 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.34 |
LogP (Chemaxon): | 6.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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