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Chemical ID: 6667486
Chemical ID:
6667486
Name [?]:
None
SMILES [?]:
CN1c2ccc(cc2C3c4ccccc4CCN3CC1=O)Cl
InChi [?]:
InChI=1/C18H17ClN2O/c1-20-16-7-6-13(19)10-15(16)18-14-5-3-2-4-12(14)8-9-21(18)11-17(20)22/h2-7,10,18H,8-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,5,4,16,17,7,19,15,6,10,8,3,20,9,22,2,18,21/rA:22cCNCCCCCCCCCCCCCCCNCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s9s17;s18;s2s19;d20;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17ClN2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.35606 |
Area: | 455.604 |
Solvation: | -2.03404 |
Coulombic: | -23.832 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 312.793 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.67 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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