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Chemical ID: 7232698
Chemical ID:
7232698
Name [?]:
2-[(4-chlorophenyl)azaniumylidenemethyl]phenolate
SMILES [?]:
c1ccc(c(c1)C=[NH+]c2ccc(cc2)Cl)[O-]
InChi [?]:
InChI=1/C13H10ClNO/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h1-9,16H
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,13,10,14,7,5,12,9,4,15,8,16/E:(5,6)(7,8)/rA:16nCCCCCCCN+CCCCCCClO-/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d12;d9s13;s12;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10ClNO |
All Atoms: | 26 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -11.1101 |
Area: | 414.729 |
Solvation: | -21.4783 |
Coulombic: | -34.6111 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.03 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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