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Chemical ID: 5131437
Chemical ID:
5131437
Name [?]:
1-(9H-carbazol-2-yl)-2-chloro-ethanone
SMILES [?]:
c1ccc2c(c1)c3ccc(cc3[nH]2)C(=O)CCl
InChi [?]:
InChI=1/C14H10ClNO/c15-8-14(17)9-5-6-11-10-3-1-2-4-12(10)16-13(11)7-9/h1-7,16H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,9,8,11,16,10,5,7,4,12,14,17,13,15/rA:17nCCCCCCCCCCCCNCOCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s10;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10ClNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.60415 |
Area: | 418.182 |
Solvation: | -2.8504 |
Coulombic: | -19.8251 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 243.688 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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