Chemical ID: 4187459

c1cc(c2c(c1)c3cc(ccc3[nH]2)Cl)C#N
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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Descriptor Annotations

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