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Chemical ID: 4187459
Chemical ID:
4187459
Name [?]:
6-chloro-9H-carbazole-1-carbonitrile
SMILES [?]:
c1cc(c2c(c1)c3cc(ccc3[nH]2)Cl)C#N
InChi [?]:
InChI=1/C13H7ClN2/c14-9-4-5-12-11(6-9)10-3-1-2-8(7-15)13(10)16-12/h1-6,16H
InChi Info:
AuxInfo=1/0/N:1,2,6,10,11,8,15,3,9,5,7,12,4,14,16,13/rA:16nCCCCCCCCCCCCNClCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s9;s3;t15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7ClN2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.67753 |
Area: | 399.375 |
Solvation: | -1.30683 |
Coulombic: | -16.5488 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 226.661 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.88 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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