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Chemical ID: 7656751
Chemical ID:
7656751
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CN(Cc2ccco2)C(=O)CCl
InChi [?]:
InChI=1/C14H14ClNO2/c15-9-14(17)16(11-13-7-4-8-18-13)10-12-5-2-1-3-6-12/h1-8H,9-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,3,5,11,13,17,7,9,4,10,15,18,8,16,14/E:(2,3)(5,6)/rA:18nCCCCCCCNCCCCCOCOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s8;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14ClNO2 |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.87372 |
Area: | 451.59 |
Solvation: | -3.41602 |
Coulombic: | -24.3056 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.21 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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