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Chemical ID: 3965854
Chemical ID:
3965854
Name [?]:
2-(6-chloro-9H-carbazol-2-yl)propanoic acid
SMILES [?]:
CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O
InChi [?]:
InChI=1/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,10,5,11,15,8,2,3,9,6,7,12,14,17,16,13,18,19/E:(18,19)/rA:19cCCCCCCCCCCCCNCCClCOO/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;d7s11;s12;d6s13;d3s14;s9;s2;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.92453 |
Area: | 449.105 |
Solvation: | -2.30309 |
Coulombic: | -38.9306 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 273.714 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.79 |
LogP (Chemaxon): | 4.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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